SCHEMBL2285733

SCHEMBL2285733

CC1(n2c(-c3ccc(OC(F)(F)F)cc3)nc3cc(C(=O)N4CCC(c5cccnc5)C4)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.53
PADI4 Q9UM07 1/20 0.44
IDH1 O75874 4/20 0.43
MAPK7 Q13164 6/20 0.43
HTR2B P41595 1/20 0.43
EPHX2 P34913 1/20 0.41
SCN9A Q15858 1/20 0.40
SPR P35270 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL2286326 0.88 NAMPT (0.55) NAMPTPADI4IDH1MAPK7HTR2B
SCHEMBL2276187 0.87 NAMPT (0.54) NAMPTPADI4IDH1MAPK7HTR2B
SCHEMBL2280346 0.87 NAMPT (0.55) NAMPTPADI4IDH1MAPK7HTR2B
SCHEMBL2284970 0.87 NAMPT (0.55) NAMPTPADI4IDH1MAPK7HTR2B
SCHEMBL2281405 0.87 NAMPT (0.55) NAMPTPADI4MAPK7HTR2BEPHX2
SCHEMBL2279339 0.87 NAMPT (0.55) NAMPTPADI4IDH1MAPK7HTR2B
SCHEMBL2286051 0.84 NAMPT (0.52) NAMPTPADI4MAPK7HTR2BEPHX2
SCHEMBL2275506 0.83 NAMPT (0.59) NAMPTPADI4HTR2BSPR
SCHEMBL2277906 0.83 NAMPT (0.52) NAMPTPADI4MAPK7EPHX2SPR
SCHEMBL2283700 0.83 NAMPT (0.49) NAMPTPADI4MAPK7HTR2BEPHX2

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-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP claimed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US claimed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US claimed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 NAMPT 1938/4885PADI4 301/4885IDH1 4594/4885

“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.