SCHEMBL2285969

SCHEMBL2285969

O=C(c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)n2Cc1ccc(F)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.56
HSD11B1 P28845 1/20 0.44
HRH3 Q9Y5N1 6/20 0.44
PADI4 Q9UM07 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SPR P35270 1/20 0.40
MDM2 Q00987 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39

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
SCHEMBL2275506 0.93 NAMPT (0.59) NAMPTHSD11B1HRH3PADI4NPC1
SCHEMBL2280617 0.89 NAMPT (0.51) NAMPTHSD11B1PADI4SPR
SCHEMBL2283486 0.89 NAMPT (0.64) NAMPTHRH3PADI4NPC1RAB9A
SCHEMBL2286220 0.89 NAMPT (0.63) NAMPTHRH3PADI4NPC1RAB9A
SCHEMBL2283297 0.87 NAMPT (0.63) NAMPTHRH3PADI4NPC1RAB9A
SCHEMBL2281053 0.86 NAMPT (0.52) NAMPTHSD11B1PADI4SPR
SCHEMBL2284899 0.86 NAMPT (0.62) NAMPTHSD11B1HRH3PADI4NPC1
SCHEMBL2280644 0.85 NAMPT (0.51) NAMPTHSD11B1PADI4SPR
SCHEMBL2283708 0.85 NAMPT (0.51) NAMPTHSD11B1PADI4SPR
SCHEMBL2280048 0.83 NAMPT (0.59) NAMPTHRH3PADI4NPC1RAB9A

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 1938/4885HSD11B1 3304/4885HRH3 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.