SCHEMBL2390891

SCHEMBL2390891

CCOc1ccc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2)c(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ROCK2 O75116 2/20 0.47
SPR P35270 1/20 0.47
PKM P14618 1/20 0.46
HPGD P15428 3/20 0.43
MAPK7 Q13164 1/20 0.43
LMNA P02545 2/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.43
APLNR P35414 1/20 0.43
HTT P42858 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM1A O60341 1/20 0.42
MEN1 O00255 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
SCHEMBL2388732 0.83 NAMPT (0.52) NAMPTALDH1A1KDM4EROCK2SPR
SCHEMBL2392435 0.82 NAMPT (0.54) NAMPTALDH1A1KDM4EROCK2SPR
SCHEMBL2391631 0.81 NAMPT (0.58) NAMPTALDH1A1ROCK2SPRHPGD
SCHEMBL2515767 0.80 NAMPT (0.49) NAMPTALDH1A1KDM4EROCK2SPR
SCHEMBL2389837 0.79 NAMPT (0.54) NAMPTALDH1A1ROCK2SPRHPGD
SCHEMBL2388247 0.79 ROCK2 (0.70) NAMPTALDH1A1KDM4EROCK2SPR
SCHEMBL12255562 0.78 NAMPT (0.60) NAMPTALDH1A1ROCK2SPRHPGD
SCHEMBL2390911 0.78 SPR (0.63) NAMPTROCK2SPRPKMCCNC
SCHEMBL2388608 0.78 NAMPT (0.64) NAMPTALDH1A1SPRHPGDLMNA
SCHEMBL2390864 0.78 NAMPT (0.64) NAMPTALDH1A1SPRHPGDTSHR

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 10 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
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO 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 2170/4885ALDH1A1 1230/4885KDM4E 2776/4885

“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.