SCHEMBL2282957

SCHEMBL2282957

O=C(c1ccc2c(c1)nc(-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2-c1ccccc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.54
MGLL Q99685 1/20 0.44
PADI4 Q9UM07 3/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SPR P35270 1/20 0.42
ROCK2 O75116 1/20 0.41
SCN9A Q15858 1/20 0.41
MYC P01106 1/20 0.41
RORC P51449 1/20 0.40
PROKR1 Q8TCW9 2/20 0.40
SCD5 Q86SK9 2/20 0.40
SCD O00767 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
SCHEMBL2279289 0.88 NAMPT (0.57) NAMPTMGLLPADI4HPGDNPC1
SCHEMBL2275495 0.87 NAMPT (0.55) NAMPTPADI4NPC1RAB9AATM
SCHEMBL2285618 0.86 NAMPT (0.54) NAMPTMGLLPADI4NPC1RAB9A
SCHEMBL2286051 0.85 NAMPT (0.52) NAMPTMGLLPADI4HPGDNPC1
SCHEMBL2280200 0.85 NAMPT (0.58) NAMPTMGLLPADI4HPGDSPR
SCHEMBL2281865 0.84 NAMPT (0.57) NAMPTMGLLPADI4HPGDNPC1
SCHEMBL2285726 0.84 MGLL (0.61) NAMPTMGLLPADI4HPGDNPC1
SCHEMBL2278765 0.84 NAMPT (0.55) NAMPTMGLLPADI4HPGDSPR
SCHEMBL2281405 0.83 NAMPT (0.55) NAMPTPADI4HPGDSPRSCN9A
SCHEMBL2280644 0.82 NAMPT (0.51) NAMPTMGLLPADI4HPGDSPR

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 1938/4885MGLL 700/4885PADI4 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.