SCHEMBL2282193

SCHEMBL2282193

O=C(c1ccc2c(c1)nc(-c1cc(Cl)cc(Cl)c1)n2CC(F)(F)F)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.55
SPR P35270 1/20 0.51
PADI4 Q9UM07 6/20 0.48
HSD11B1 P28845 1/20 0.44
CYP11B2 P19099 1/20 0.41
FASN P49327 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PTGER4 P35408 1/20 0.39
F10 P00742 1/20 0.39
BRD4 O60885 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL2282199 0.92 NAMPT (0.58) NAMPTSPRPADI4CYP11B2HRH3
SCHEMBL2278276 0.91 NAMPT (0.57) NAMPTSPRPADI4CYP11B2HRH3
SCHEMBL2284903 0.88 SPR (0.51) NAMPTSPRPADI4HSD11B1FASN
SCHEMBL2284899 0.88 NAMPT (0.62) NAMPTSPRPADI4HSD11B1HRH3
SCHEMBL2284970 0.87 NAMPT (0.55) NAMPTSPRPADI4CYP11B2
SCHEMBL2280617 0.86 NAMPT (0.51) NAMPTSPRPADI4HSD11B1CYP11B2
SCHEMBL2278765 0.85 NAMPT (0.55) NAMPTSPRPADI4HSD11B1FASN
SCHEMBL2277920 0.84 NAMPT (0.51) NAMPTSPRPADI4HSD11B1F10
SCHEMBL2282316 0.84 NAMPT (0.57) NAMPTSPRPADI4CYP11B2
SCHEMBL2282320 0.84 NAMPT (0.50) NAMPTPADI4HRH3PTGER4HPGD

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 1938/4885SPR 3835/4885PADI4 301/4885

“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.