SCHEMBL2391631

SCHEMBL2391631

COc1ccccc1-c1ccc(C(=O)N2CCC(c3cccnc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
ROCK2 O75116 2/20 0.57
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
APLNR P35414 1/20 0.51
TP53 P04637 1/20 0.49
SPR P35270 1/20 0.49
PDE4B Q07343 1/20 0.49
FFAR2 O15552 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD11B1 P28845 2/20 0.47
GHSR Q92847 1/20 0.46

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
SCHEMBL2389837 0.88 NAMPT (0.54) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2388247 0.88 ROCK2 (0.70) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2388608 0.85 NAMPT (0.64) NAMPTNPC1RAB9AATMLMNA
SCHEMBL2392931 0.84 NAMPT (0.56) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2385513 0.83 NAMPT (0.76) NAMPTNPC1RAB9AATMSPR
SCHEMBL2390915 0.83 NAMPT (0.64) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2390864 0.83 NAMPT (0.64) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL8356221 0.82 HTT (0.62) NAMPTROCK2LMNAALDH1A1APLNR
SCHEMBL2391271 0.82 NAMPT (0.55) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2389382 0.82 NAMPT (0.57) NAMPTROCK2NPC1RAB9AATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP claimed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO claimed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885ROCK2 1766/4885NPC1 561/4885

“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.