SCHEMBL5258342

SCHEMBL5258342

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.48
TYMS P04818 1/20 0.43
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PARP1 P09874 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
MTHFD1 P11586 1/20 0.36
MTHFD2 P13995 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7526207 0.87 THRB (0.48) HPRT1POLBTDP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7571975 0.82 HDAC3 (0.48) HPRT1POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL930873 0.82 HPRT1 (0.47) HPRT1POLBTDP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6935179 0.81 HPRT1 (0.46) HPRT1POLBTDP1ALDH1A1HPGD
Water SCHEMBL6931313 0.81 HPRT1 (0.46) HPRT1POLBTDP1ALDH1A1HPGD
SCHEMBL10506681 0.80 HPRT1 (0.48) HPRT1TYMS
SCHEMBL5250159 0.79 HPRT1 (0.60) HPRT1
SCHEMBL7567089 0.78 HPRT1 (0.54) HPRT1
SCHEMBL7570074 0.77 HPRT1 (0.53) HPRT1ALDH1A1HPGDKMT2A
SCHEMBL7570941 0.76 HPRT1 (0.49) HPRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334103-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP claimed
EP-1334104-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP claimed
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters NEOTHERAPEUTICS, INC. 2002-09-12 US claimed
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP claimed
WO-2001028545-A9 USE OF CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS TO STIMULATE NEURITOGENESIS NEOTHERAPEUTICS INC (US) 2002-08-15 WO claimed
EP-1225877-A2 USE OF CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS TO STIMULATE NEURITOGENESIS Neotherapeutics, Inc. (US) 2002-07-31 EP claimed
US-20020061899-A1 Methods for treatment of drug-induced peripheral neuropathy and related conditions SPECTRUM PHARMACEUTICALS, INC. 2002-05-23 US claimed
US-20020055506-A1 Methods for treatment of disease-induced peripheral neuropathy and related conditions SPECTRUM PHARMACEUTICALS, INC. 2002-05-09 US claimed
US-20020040031-A1 Methods for prevention of accumulation of amyloid beta peptide in the central nervous system NEO THERAPEUTICS, INC. 2002-04-04 US claimed
US-20020040032-A1 Methods for stimulation of synthesis of synaptophysin in the central nervous system NEOTHERAPEUTICS, INC. 2002-04-04 US claimed
WO-2002004452-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO claimed
WO-2002004451-A2 METHODS FOR STIMULATION OF SYNTHESIS OF SYNAPTOPHYSIN IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO claimed
WO-2002004450-A2 METHODS FOR PREVENTION OF ACCUMULATION OF AMYLOID BETA PEPTIDE IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO claimed
WO-2002004449-A2 METHODS FOR TREATMENT OF CONDITIONS AFFECTED BY ACTIVITY OF MULTIDRUG TRANSPORTERS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO claimed
WO-2002004448-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO claimed
US-6338963-B1 GENE EXPRESSION OF MOLECULES IN MAMMALS NEOTHERAPEUTICS, INC. 2002-01-15 US claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed
WO-2001028545-A2 USE OF CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS TO STIMULATE NEURITOGENESIS NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed
EP-1790344-A2 Methods for treatment of disease-induced peripheral neuropathy and related conditions Spectrum Pharmaceuticals, Inc. (US) 2007-05-30 EP disclosed
US-6630490-B2 Purine derivative or analogue NEOTHERAPEUTICS, INC. 2003-10-07 US disclosed
US-6630478-B2 Administering to patient with drug-induced peripheral neuropathy an effective quantity of a purine derivative or analogue, a tetrahydroindolone derivative or analogue, or a pyrimidine derivative or analogue NEOTHERAPEUTICS, INC. 2003-10-07 US disclosed
EP-1334103-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP disclosed
EP-1334104-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP disclosed
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters NEOTHERAPEUTICS, INC. 2002-09-12 US disclosed
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
WO-2001028545-A9 USE OF CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS TO STIMULATE NEURITOGENESIS NEOTHERAPEUTICS INC (US) 2002-08-15 WO disclosed
WO-2002058736-A2 USE OF 9-SUBSTITUTED PURINE ANALOGUES AND OTHER MOLECULES TO STIMULATE NEUROGENESIS NEOTHERAPETICS, INC. (US) 2002-08-01 WO disclosed
EP-1225877-A2 USE OF CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS TO STIMULATE NEURITOGENESIS Neotherapeutics, Inc. (US) 2002-07-31 EP disclosed
US-20020091133-A1 Use of 9-substituted purine analogues and other molecules to stimulate neurogenesis EVE M. TAYLOR 2002-07-11 US disclosed
US-20020061899-A1 Methods for treatment of drug-induced peripheral neuropathy and related conditions SPECTRUM PHARMACEUTICALS, INC. 2002-05-23 US disclosed
US-20020055506-A1 Methods for treatment of disease-induced peripheral neuropathy and related conditions SPECTRUM PHARMACEUTICALS, INC. 2002-05-09 US disclosed
US-20020040031-A1 Methods for prevention of accumulation of amyloid beta peptide in the central nervous system NEO THERAPEUTICS, INC. 2002-04-04 US disclosed
US-20020040032-A1 Methods for stimulation of synthesis of synaptophysin in the central nervous system NEOTHERAPEUTICS, INC. 2002-04-04 US disclosed
WO-2002004450-A2 METHODS FOR PREVENTION OF ACCUMULATION OF AMYLOID BETA PEPTIDE IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004451-A2 METHODS FOR STIMULATION OF SYNTHESIS OF SYNAPTOPHYSIN IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004449-A2 METHODS FOR TREATMENT OF CONDITIONS AFFECTED BY ACTIVITY OF MULTIDRUG TRANSPORTERS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004452-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
WO-2002004448-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
US-6338963-B1 GENE EXPRESSION OF MOLECULES IN MAMMALS NEOTHERAPEUTICS, INC. 2002-01-15 US disclosed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed
WO-2001028545-A2 USE OF CARBON MONOXIDE DEPENDENT GUANYLYL CYCLASE MODIFIERS TO STIMULATE NEURITOGENESIS NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020061899-A1 Methods for treatment of drug-induced peripheral neuropathy and related conditions TYMP, TYMS, NGF HPRT1 33/4885TYMS 2/4885POLB 161/4885
US-20020055506-A1 Methods for treatment of disease-induced peripheral neuropathy and related conditions NGF, NUDT1, HPRT1 HPRT1 3/4885TYMS 19/4885POLB 511/4885
US-20020040032-A1 Methods for stimulation of synthesis of synaptophysin in the central nervous system GAP43, BDNF, APP HPRT1 42/4885TYMS 57/4885POLB 739/4885
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters SLC29A1, ABCB1, NUDT1 HPRT1 8/4885TYMS 87/4885POLB 773/4885
US-20020091133-A1 Use of 9-substituted purine analogues and other molecules to stimulate neurogenesis DCX, MKI67, TK2 HPRT1 825/4885TYMS 67/4885POLB 3648/4885
US-20020040031-A1 Methods for prevention of accumulation of amyloid beta peptide in the central nervous system APP, BACE1, SARNP HPRT1 10/4885TYMS 211/4885POLB 347/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.