SCHEMBL2389841

SCHEMBL2389841

COc1cc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
ROCK2 O75116 2/20 0.47
HSD11B1 P28845 1/20 0.46
SPR P35270 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
KLK7 P49862 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PROKR1 Q8TCW9 2/20 0.43
CYP3A4 P08684 1/20 0.43
SCN9A Q15858 1/20 0.43
UBE2M P61081 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
SCHEMBL2390000 0.91 NAMPT (0.61) NAMPTABL1BCRROCK2HSD11B1
SCHEMBL12255559 0.89 NAMPT (0.56) NAMPTABL1BCRROCK2HSD11B1
SCHEMBL2387812 0.88 NAMPT (0.62) NAMPTABL1BCRHSD11B1SPR
SCHEMBL2389787 0.86 NAMPT (0.61) NAMPTALDH1A1HPGDHSD11B1SPR
SCHEMBL2392580 0.86 LMNA (0.48) NAMPTALDH1A1LMNAHPGDHIF1A
SCHEMBL2390969 0.86 NAMPT (0.59) NAMPTABL1BCRHSD11B1SPR
SCHEMBL2391018 0.86 NAMPT (0.57) NAMPTHSD11B1SPRNPC1RAB9A
SCHEMBL2388581 0.85 NAMPT (0.49) NAMPTALDH1A1LMNAHPGDHIF1A
SCHEMBL2390747 0.84 ROCK2 (0.62) NAMPTALDH1A1LMNAHPGDHIF1A
SCHEMBL2388461 0.84 NAMPT (0.57) NAMPTHSD11B1SPRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US 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 1230/4885LMNA 1295/4885

“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.