SCHEMBL1242736

SCHEMBL1242736

Cc1sc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 3/20 0.46
USP47 Q96K76 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP6 P55212 1/20 0.42
GPR35 Q9HC97 1/20 0.41
PSMB8 P28062 1/20 0.41
HCAR3 P49019 3/20 0.40
USP10 Q14694 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
USP7 Q93009 1/20 0.39

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
SCHEMBL10252646 0.85 USP47 (0.54) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL426359 0.84 USP10 (0.51) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15577326 0.84 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16863713 0.81 GSK3B (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL16863716 0.81 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL18430393 0.80 HDAC6 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3230116 0.79 CA1 (0.43) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL17977297 0.78 USP10 (0.58) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11458447 0.78 CA1 (0.42) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL1456043 0.78 DAO (0.55) DAOTSHRUSP47CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103467481-B Dihydropyridine compounds, a combination thereof thing, preparation method and purposes 上海汇伦生命科技有限公司 2016-08-31 CN disclosed
WO-2016128905-A1 THIENOPYRROLE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-08-18 WO disclosed
WO-2014041518-A1 THIENOPYRROLE DERIVATIVES AS ITK INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-03-20 WO disclosed
WO-2014041518-A1 THIENOPYRROLE DERIVATIVES AS ITK INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-03-20 WO disclosed
CN-103467481-A Dihydropyridine compounds, compositions thereof, preparation method and applications SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD 2013-12-25 CN disclosed
CN-101479253-B Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2013-03-13 CN disclosed
US-8252936-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-28 US disclosed
EP-2016067-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-08-08 EP disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 US disclosed
WO-2007076228-A2 2-(IH-THIENO [3,2-C] PYRAZOL-3YL)-IH-INDOLE DERIVATIVES AND RELATED COMPOUNDS AS TEC KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AND IMMUNOLOGICAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO disclosed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP disclosed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO disclosed
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO disclosed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 WO disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 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 (1 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-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 DAO 247/4885KDM4E 1800/4885MEN1 1987/4885

“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.