SCHEMBL5332984

SCHEMBL5332984

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.49
SPR P35270 4/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
NOTUM Q6P988 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.45
PTGS2 P35354 1/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL7570987 0.89 MEN1 (0.51) ALDH1A1CYP1A2MAPTBLM
SCHEMBL931472 0.86 TRPV1 (0.52) TRPV1SPRKDM4EALDH1A1CYP1A2
SCHEMBL7575108 0.77 HPRT1 (0.53)
SCHEMBL7980833 0.76 HPRT1 (0.45) KDM4EALDH1A1
SCHEMBL7576799 0.75 HPRT1 (0.51)
SCHEMBL7570897 0.75 CA1 (0.50) ALDH1A1
SCHEMBL931453 0.75 MEN1 (0.53) ALDH1A1CYP1A2MAPTBLM
SCHEMBL7568116 0.74 HPRT1 (0.46)
SCHEMBL7567089 0.74 HPRT1 (0.54)
SCHEMBL7570941 0.73 HPRT1 (0.49)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES 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
WO-2002058736-A2 USE OF 9-SUBSTITUTED PURINE ANALOGUES AND OTHER MOLECULES TO STIMULATE NEUROGENESIS NEOTHERAPETICS, INC. (US) 2002-08-01 WO 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-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-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-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-2002004448-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO 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

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

For each of this compound's patents that has machine-readable text (4 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-20020040032-A1 Methods for stimulation of synthesis of synaptophysin in the central nervous system GAP43, BDNF, APP TRPV1 3555/4885SPR 223/4885KDM4E 3620/4885
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters SLC29A1, ABCB1, NUDT1 TRPV1 767/4885SPR 258/4885KDM4E 3123/4885
US-20020091133-A1 Use of 9-substituted purine analogues and other molecules to stimulate neurogenesis DCX, MKI67, TK2 TRPV1 370/4885SPR 2835/4885KDM4E 837/4885
US-20020040031-A1 Methods for prevention of accumulation of amyloid beta peptide in the central nervous system APP, BACE1, SARNP TRPV1 4159/4885SPR 85/4885KDM4E 4596/4885

“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.