SCHEMBL4159524

SCHEMBL4159524

O=C(O)c1sc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.42
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GPR35 Q9HC97 2/20 0.38
GSK3B P49841 1/20 0.38
ESR2 Q92731 1/20 0.38
DTYMK P23919 1/20 0.38
HCAR3 P49019 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6648267 0.88 ERN1 (0.37) CASP6TSHRLMNACA1CA2
SCHEMBL4180845 0.80 ALDH1A1 (0.42) TSHRLMNA
SCHEMBL3230116 0.79 CA1 (0.43) CASP6TSHRLMNACA1CA2
SCHEMBL14565984 0.78 CASP6 (0.42) CASP6TSHRLMNACA1CA2
SCHEMBL12104562 0.78 TSHR (0.46) CASP6TSHRLMNACA1CA2
SCHEMBL2680731 0.74 CYP3A4 (0.39) TSHRLMNAGPR35TDP1
SCHEMBL3541314 0.74 TSHR (0.39) CASP6TSHRLMNACA1CA2
SCHEMBL27731078 0.74 CYP1A2 (0.44) CASP6TSHRLMNAGPR35
SCHEMBL15878596 0.71 GSK3B (0.61) GPR35GSK3B
SCHEMBL11458447 0.70 CA1 (0.42) CASP6TSHRLMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884066-B 2, 3, 5-substituted thiophene compounds as protein kinase inhibitors 韩国科学技术研究院 2021-08-24 CN disclosed
EP-3418275-B1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR KOREA INST SCI & TECH (KR) 2021-03-17 EP disclosed
US-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-15 US disclosed
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-02-14 US disclosed
EP-3418275-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR Korea Institute of Science and Technology (KR) 2018-12-26 EP disclosed
WO-2017142325-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR 한국과학기술연구원 2017-08-24 WO disclosed
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
CN-101384605-A Novel aminoalcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 EP disclosed
CN-1571774-A Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM PLC (GB) 2005-01-26 CN disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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 (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-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor CDK2, CDK2AP2, MAP3K5 CASP6 1682/4885TSHR 3570/4885LMNA 4101/4885
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 CASP6 4855/4885TSHR 33/4885LMNA 4420/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 CASP6 4705/4885TSHR 783/4885LMNA 3722/4885
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor MAP3K5, MAP3K6, MAP3K9 CASP6 1485/4885TSHR 3501/4885LMNA 4245/4885

“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.