SCHEMBL1303851

SCHEMBL1303851

COc1ccc(C(=O)C(Br)CCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ ALDH1A1 P00352 5/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ GPR52 Q9Y2T5 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47

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
SCHEMBL1303238 0.85 ALDH1A1 (0.56) NPC1RAB9AALDH1A1CYP1A2GPR52
SCHEMBL11083245 0.85 MDM2 (0.52) NPC1RAB9AKMT2AMEN1
SCHEMBL4932919 0.80 SLC6A2 (0.57) RAB9AALDH1A1CYP1A2MAPTCES2
SCHEMBL19104774 0.78 RAB9A (0.51) RAB9AALDH1A1CYP1A2GPR52MAPT
SCHEMBL1302941 0.78 ALDH1A1 (0.54) RAB9AALDH1A1CYP1A2MAPTCES2
SCHEMBL5060223 0.77 ALDH1A1 (0.61) NPC1RAB9AALDH1A1CYP1A2MAPT
SCHEMBL2097664 0.77 ALDH1A1 (0.60) NPC1RAB9AALDH1A1CYP1A2MAPT
SCHEMBL3684866 0.77 ALDH1A1 (0.53) RAB9AALDH1A1CYP1A2MAPTCES2
SCHEMBL10938169 0.76 MEN1 (0.51) NPC1RAB9AALDH1A1GPR52MAPT
SCHEMBL5217789 0.76 MDM2 (0.69) NPC1RAB9AALDH1A1CYP1A2GPR52

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 6 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 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
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
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 NPC1 148/4885RAB9A 4686/4885ALDH1A1 2114/4885

“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.

Send feedback