SCHEMBL2265967

SCHEMBL2265967

Nc1cc(Cl)c(C#Cc2ccccc2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPC1 O15118 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
APP P05067 1/20 0.46
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41

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
SCHEMBL16104540 0.82 MAPT (0.46) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL7533657 0.82 MAPT (0.63) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2264301 0.80 CASP3 (0.48) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL15544149 0.79 MAPT (0.55) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL18962400 0.76 NPC1 (0.41) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL28707774 0.76 CYP3A4 (0.60) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL15227597 0.76 CYP3A4 (0.60) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL29545275 0.76 CYP3A4 (0.60) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16598981 0.74 MAPT (0.54) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL31279173 0.73 FFAR1 (0.57) MAPTNPC1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
EP-2352374-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-08-10 EP disclosed
WO-2010051176-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 MAPT 4011/4885NPC1 1099/4885CYP1A2 1638/4885

“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.