SCHEMBL742272

SCHEMBL742272

NC(=O)c1cccnc1Oc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.75
ALDH1A1 P00352 4/20 0.70
TDP1 Q9NUW8 1/20 0.68
KDM4E B2RXH2 1/20 0.62
MAPK8 P45983 3/20 0.59
CTNNB1 P35222 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 1/20 0.55
ROCK2 O75116 4/20 0.55
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51

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
Hydrochloric Acid SCHEMBL6831509 0.98 RAB9A (0.73) RAB9AALDH1A1TDP1KDM4EMAPK8
SCHEMBL6120093 0.88 RAB9A (0.72) RAB9AALDH1A1TDP1KDM4EMAPK8
SCHEMBL17241997 0.87 RAB9A (0.76) RAB9AALDH1A1TDP1KDM4EKMT2A
SCHEMBL861902 0.86 TDP1 (0.71) RAB9AALDH1A1TDP1KDM4EMAPK8
SCHEMBL6455377 0.86 RAB9A (0.74) RAB9AALDH1A1TDP1KDM4EKMT2A
SCHEMBL4165132 0.86 RAB9A (0.74) RAB9AALDH1A1TDP1KDM4EKMT2A
SCHEMBL28662140 0.86 RAB9A (1.00) RAB9AALDH1A1TDP1KDM4EROCK2
SCHEMBL1457550 0.85 ALDH1A1 (0.63) RAB9AALDH1A1TDP1KDM4EMAPK8
SCHEMBL20641267 0.84 RAB9A (0.67) RAB9AALDH1A1ROCK2
SCHEMBL7312518 0.84 RAB9A (0.59) RAB9AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-3743406-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2020-12-02 EP disclosed
WO-2019145726-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2019-08-01 WO disclosed
EP-3203840-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2017-08-16 EP disclosed
WO-2016057572-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MILLER MARK THOMAS (US) 2016-04-14 WO disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010114726-A1 AMINOBENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
US-5328845-A Fungal negative microorganism capable of producing high levels of beta-carotene UNIVERSAL FOODS CORPORATION (US) 1994-07-12 US disclosed
WO-1994008991-A1 HERBICIDAL PYRAZOLYLOXY-PICOLINAMIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-04-28 WO disclosed
WO-1993020183-A1 METHOD FOR PRODUCING BETA-CAROTENE USING A FUNGAL MATED CULTURE UNIVERSAL FOODS CORPORATION (US) 1993-10-14 WO disclosed
EP-0357316-B1 ANTIDEPRESSANT N-SUBSTITUTED NICOTINAMIDE COMPOUNDS PFIZER INC. (US) 1993-04-14 EP disclosed
EP-0488474-A1 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-06-03 EP disclosed
EP-0357316-A1 Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1990-03-07 EP disclosed
US-4861891-A Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1989-08-29 US disclosed
US-4327218-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-04-27 US disclosed
US-4251263-A N-substituted, 2-phenoxynicotinamide compounds and the herbicidal use thereof STAUFFER CHEMICAL COMPANY (US) 1981-02-17 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 (2 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL RAB9A 2748/4885ALDH1A1 1278/4885TDP1 2797/4885
US-20140148457-A1 Thiazole derivatives TBK1, IRAK1, IRF3 RAB9A 1533/4885ALDH1A1 3473/4885TDP1 101/4885

“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.