SCHEMBL1304124

SCHEMBL1304124

COc1ccc(-c2nc(NC(=O)c3ccc(C#N)cc3)sc2Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 2/20 0.66
RECQL P46063 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
THRB P10828 1/20 0.66
PLTP P55058 6/20 0.61
CYP2C9 P11712 2/20 0.60
USP2 O75604 1/20 0.60
CYP2C19 P33261 1/20 0.60
SCD O00767 2/20 0.51
ADORA1 P30542 2/20 0.46
RAB9A P51151 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL1304134 0.89 PLTP (0.74) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1304406 0.89 PLTP (0.74) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1302328 0.88 PLTP (0.58) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1303890 0.88 ADORA1 (0.57) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1304922 0.86 PLTP (0.66) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1304598 0.85 PLTP (0.68) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1302024 0.81 PLTP (0.84) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1302403 0.80 PLTP (0.66) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1303816 0.80 ADORA1 (0.66) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1302978 0.78 PLTP (0.76) MAPTMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP claimed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP claimed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US claimed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US claimed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP claimed
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP disclosed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 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-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF CETP, PLTP, MTTP MAPT 2273/4885MEN1 2879/4885KMT2A 4286/4885

“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.