SCHEMBL1304544

SCHEMBL1304544

COc1ccc(C(=O)CCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 5/20 0.60
KCNJ1 P48048 1/20 0.59
KCNH2 Q12809 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.56
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
LMNA P02545 1/20 0.53
BMP1 P13497 1/20 0.53

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
SCHEMBL7868896 0.86 NPC1 (0.83) MAPTRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL11974558 0.85 MEN1 (0.77) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL5729901 0.84 BCL9 (0.65) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL9827940 0.84 ACHE (0.64) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL1304505 0.82 RAB9A (0.64) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL522192 0.82 ALDH1A1 (0.64) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL2298142 0.81 KMT2A (0.60) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL15306483 0.81 ALDH1A1 (0.73) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL26083579 0.81 MEN1 (0.64) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL11436374 0.80 NPC1 (0.73) MAPTRAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2273/4885RAB9A 4686/4885NPC1 148/4885

“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.