SCHEMBL2284899

SCHEMBL2284899

O=C(c1ccc2c(c1)nc(-c1cc(Cl)cc(Cl)c1)n2Cc1ccc(F)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.62
SPR P35270 1/20 0.49
HRH3 Q9Y5N1 7/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
PADI4 Q9UM07 1/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2283486 0.93 NAMPT (0.64) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2286220 0.92 NAMPT (0.63) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2283297 0.92 NAMPT (0.63) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2277910 0.89 NAMPT (0.57) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2280048 0.88 NAMPT (0.59) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2282193 0.88 NAMPT (0.55) NAMPTSPRHRH3PADI4HSD11B1
SCHEMBL2275506 0.87 NAMPT (0.59) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2282259 0.86 NAMPT (0.59) NAMPTSPRNPC1RAB9AATM
SCHEMBL2285969 0.86 NAMPT (0.56) NAMPTSPRHRH3NPC1RAB9A
SCHEMBL2278765 0.83 NAMPT (0.55) NAMPTSPRPADI4HSD11B1HPGD

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 3835/4885HRH3 290/4885

“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.