SCHEMBL4777591

SCHEMBL4777591

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCC2CCCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
RORC P51449 1/20 0.40
ROCK2 O75116 2/20 0.40
ACP1 P24666 1/20 0.40
PKN2 Q16513 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL4776519 0.95 NAMPT (0.42) NAMPTNCOA1NCOA3RORCSCN3A
SCHEMBL4769752 0.91 NAMPT (0.45) NAMPTRORCSCN3A
SCHEMBL4767905 0.83 NAMPT (0.42) NAMPTRORCSCN3A
SCHEMBL5569246 0.83 NAMPT (0.42) NAMPTRORCSCN3A
SCHEMBL4777592 0.80 LMNA (0.44) NAMPTRORCKCNH2
SCHEMBL4777334 0.78 SCN3A (0.46) NAMPTSCN3A
SCHEMBL4770850 0.77 NAMPT (0.44) NAMPTRORC
SCHEMBL14497666 0.75 EPHX2 (0.62) NAMPTSCN3A
SCHEMBL4777709 0.75 PPARG (0.48) NAMPTRORCSCN3A
SCHEMBL4776523 0.74 LMNA (0.45) NAMPTRORCKCNH2

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NAMPT 3369/4885NCOA1 2616/4885NCOA3 1717/4885

“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.