SCHEMBL438393

SCHEMBL438393

Cc1cc(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OC(C)(C)C(=O)O)cc3)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.63
SOAT2 O75908 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TACR3 P29371 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
PPARA Q07869 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 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
SCHEMBL804703 0.78 CYP3A4 (0.74) TACR3NPC1RAB9AMEN1KMT2A
SCHEMBL435175 0.78 DGAT1 (1.00) DGAT1SOAT2L3MBTL1KDM4EALDH1A1
SCHEMBL13190172 0.76 DGAT1 (0.78) DGAT1SOAT2L3MBTL1KDM4EALDH1A1
SCHEMBL12045609 0.75 DGAT1 (0.88) DGAT1SOAT2L3MBTL1KDM4EALDH1A1
SCHEMBL462112 0.74 DGAT1 (0.87) DGAT1SOAT2L3MBTL1KDM4EALDH1A1
SCHEMBL10197410 0.73 DGAT1 (0.85) DGAT1SOAT2L3MBTL1KDM4EALDH1A1
SCHEMBL804472 0.72 CYP3A4 (0.50) L3MBTL1NPC1MEN1KMT2ACYP3A4
SCHEMBL10198057 0.72 DGAT1 (1.00) DGAT1SOAT2L3MBTL1CYP2C9
SCHEMBL384252 0.72 DGAT1 (1.00) DGAT1SOAT2L3MBTL1CYP2C9
SCHEMBL384253 0.72 DGAT1 (1.00) DGAT1SOAT2L3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
EP-2408766-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
WO-2010107765-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
WO-2010107765-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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 (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-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT2 6/4885L3MBTL1 1423/4885

“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.