SCHEMBL2656034

SCHEMBL2656034

COC(=O)c1ccc(Sc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
HPGD P15428 6/20 0.63
MAPT P10636 5/20 0.63
KDM4E B2RXH2 4/20 0.63
LMNA P02545 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 2/20 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
SCHEMBL15227961 0.83 MAPT (0.85) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL15227779 0.79 PDE7A (0.62) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL10939566 0.78 NR4A2 (0.43) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL692907 0.78 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL6575703 0.77 CA1 (0.61) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL196916 0.75 CA1 (0.64) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL7758484 0.74 MAPT (0.57) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL10540634 0.74 MEN1 (0.55) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL25249488 0.73 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL9323068 0.73 ABL1 (0.53) ALDH1A1HPGDMAPTKDM4ELMNA

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-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
EP-1863755-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES Merck & Co., Inc. (US) 2007-12-12 EP disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 WO disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 ALDH1A1 863/4885HPGD 880/4885MAPT 4204/4885

“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.