SCHEMBL487319

SCHEMBL487319

C[S+]([O-])c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CASP1 P29466 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 7/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA7 P43166 1/20 0.39
MAOA P21397 3/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP7 P55210 1/20 0.36
NOS1 P29475 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
SCHEMBL9301864 1.00 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL143288 0.81 CYP3A4 (0.52) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL13591681 0.79 CYP3A4 (0.50) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL13513756 0.77 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL29446069 0.77 CYP3A4 (0.42) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL26617624 0.77 CYP3A4 (0.42) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL22964657 0.77 CYP3A4 (0.42) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL27671919 0.77 CYP3A4 (0.42) CYP3A4CASP1RECQLALDH1A1CA12
SCHEMBL1162645 0.74 ACHE (0.50) CYP3A4ALDH1A1TDP1MAPTTP53
SCHEMBL310261 0.74 CYP3A4 (0.44) CYP3A4CASP1RECQLALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20260001861-A1 PYRIDINE CARBOXAMIDE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INST INC (US) 2026-01-01 US disclosed
EP-4583867-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2025-07-16 EP disclosed
CN-119894509-A Sodium channel blocking compounds, derivatives thereof, and methods of use thereof 拉堤果生物医疗股份有限公司 2025-04-25 CN disclosed
CN-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 CN disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 EP disclosed
US-12234221-B2 Pyridine carboxamide compounds for inhibiting NAV1.8 LIEBER INSTITUTE, INC. (US) 2025-02-25 US disclosed
WO-2024054622-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
WO-2005012307-A1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
US-5191078-A Process for the direct and regioselective functionalization in position 2 of phenothiazine ZAMBON GROUP S.P.A. (IT) 1993-03-02 US disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 CYP3A4 740/4885CASP1 773/4885RECQL 536/4885
US-12234221-B2 Pyridine carboxamide compounds for inhibiting NAV1.8 SCN8A, SCN1A, SCN2A CYP3A4 4113/4885CASP1 1195/4885RECQL 3608/4885
US-20260001861-A1 PYRIDINE CARBOXAMIDE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN1A, SCN1B CYP3A4 2103/4885CASP1 645/4885RECQL 3353/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 CYP3A4 740/4885CASP1 773/4885RECQL 536/4885

“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.