SCHEMBL7722688

SCHEMBL7722688

CCc1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.50
DDAH1 O94760 1/20 0.47
KDM5B Q9UGL1 9/20 0.43
KDM5A P29375 7/20 0.43
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4C Q9H3R0 4/20 0.39
DHODH Q02127 1/20 0.39
EGFR P00533 1/20 0.39
KDM4A O75164 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9224289 0.88 KDM5B (0.50) KDM5BKDM5AKEAP1ALDH1A1KDM4E
SCHEMBL14347043 0.86 DDAH1 (0.46) TNKS2DDAH1
SCHEMBL9589018 0.86 KDM5B (0.47) KDM5BKDM5AKEAP1ALDH1A1KDM4E
SCHEMBL14347065 0.84 DDAH1 (0.44) TNKS2DDAH1KEAP1ALDH1A1KDM4E
SCHEMBL7721019 0.84 DDAH1 (0.44) TNKS2DDAH1KDM5AALDH1A1KDM4E
SCHEMBL29893727 0.84 DHODH (0.42) KDM5BKDM5AKEAP1ALDH1A1KDM4E
SCHEMBL14347064 0.84 DDAH1 (0.44) TNKS2DDAH1ALDH1A1KDM4ERAB9A
SCHEMBL1553897 0.82 GAA (0.54) KDM5BKDM5AALDH1A1KDM4EKDM4C
Hydrochloric Acid SCHEMBL8569715 0.81 GAA (0.53) KDM5BKDM5AALDH1A1KDM4EKDM4C
SCHEMBL6948961 0.81 RAB9A (0.55) KDM5BKDM5AALDH1A1RAB9AKDM4C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-7312229-B2 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-12-25 US disclosed
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-04-19 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-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TNKS2 3093/4885DDAH1 150/4885KDM5B 1602/4885
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 TNKS2 1699/4885DDAH1 3529/4885KDM5B 1384/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY TNKS2 4577/4885DDAH1 659/4885KDM5B 2432/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY TNKS2 4577/4885DDAH1 659/4885KDM5B 2432/4885

“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.