SCHEMBL5253448

SCHEMBL5253448

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.45
TDP1 Q9NUW8 7/20 0.34
KDM4E B2RXH2 7/20 0.34
MAPT P10636 6/20 0.34
BLM P54132 6/20 0.34
ADRB2 P07550 5/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP1A2 P05177 2/20 0.34
NFKB1 P19838 2/20 0.34
THPO P40225 2/20 0.34
GAA P10253 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
SLC6A2 P23975 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
RECQL P46063 3/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL7568144 0.83 HPRT1 (0.42) HPRT1TDP1KDM4EMAPTBLM
SCHEMBL7571677 0.82 HPRT1 (0.44) HPRT1KDM4EMAPTBLMHSD17B10
SCHEMBL7570451 0.81 HPRT1 (0.53) HPRT1TDP1KDM4EMAPTBLM
SCHEMBL7589916 0.80 HPRT1 (0.52) HPRT1HSD17B10
SCHEMBL7575446 0.79 HPRT1 (0.46) HPRT1MAPK1TAAR1
SCHEMBL7567089 0.77 HPRT1 (0.54) HPRT1HSD17B10MAPK1
SCHEMBL5253451 0.76 TK1 (0.48) HPRT1BLMHIF1ANFKB1SMN1; SMN2
SCHEMBL7575108 0.76 HPRT1 (0.53) HPRT1
SCHEMBL7570074 0.76 HPRT1 (0.53) HPRT1KDM4EGAAKMT2AALDH1A1
SCHEMBL7982326 0.74 HPRT1 (0.51) HPRT1TDP1KDM4EMAPTGAA

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 29 patents — showing the first 20. 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
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-2002004449-A2 METHODS FOR TREATMENT OF CONDITIONS AFFECTED BY ACTIVITY OF MULTIDRUG TRANSPORTERS NEOTHERAPEUTICS, INC. (US) 2002-01-17 WO 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-2002004448-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS NEOTHERAPEUTICS, INC. (US) 2002-01-17 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-1334104-A2 METHODS FOR TREATMENT OF DRUG-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS Neotherapeutics, Inc. (US) 2003-08-13 EP disclosed
WO-2002004452-A2 METHODS FOR TREATMENT OF DISEASE-INDUCED PERIPHERAL NEUROPATHY AND RELATED CONDITIONS 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-2002004450-A2 METHODS FOR PREVENTION OF ACCUMULATION OF AMYLOID BETA PEPTIDE IN THE CENTRAL NERVOUS SYSTEM NEOTHERAPEUTICS, INC. (US) 2002-01-17 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 (5 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 33/4885TDP1 166/4885KDM4E 4248/4885
US-20020055506-A1 Methods for treatment of disease-induced peripheral neuropathy and related conditions NGF, NUDT1, HPRT1 HPRT1 3/4885TDP1 221/4885KDM4E 4502/4885
US-20020040032-A1 Methods for stimulation of synthesis of synaptophysin in the central nervous system GAP43, BDNF, APP HPRT1 42/4885TDP1 176/4885KDM4E 3620/4885
US-20020128264-A1 Methods for treatment of conditions affected by activity of multidrug transporters SLC29A1, ABCB1, NUDT1 HPRT1 8/4885TDP1 1200/4885KDM4E 3123/4885
US-20020040031-A1 Methods for prevention of accumulation of amyloid beta peptide in the central nervous system APP, BACE1, SARNP HPRT1 10/4885TDP1 57/4885KDM4E 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.