SCHEMBL4767905

SCHEMBL4767905

O=C1CC[C@H](CCS(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
RORC P51449 3/20 0.41
SCN3A Q9NY46 3/20 0.40
ITK Q08881 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL5569246 1.00 NAMPT (0.42) NAMPTRORCSCN3AITKPPARG
SCHEMBL4769752 0.86 NAMPT (0.45) NAMPTRORCSCN3AITKPPARG
SCHEMBL4777423 0.86 MEN1 (0.41) NAMPTRORCITKALDH1A1MEN1
SCHEMBL4776519 0.84 NAMPT (0.42) NAMPTRORCSCN3A
SCHEMBL4777591 0.83 NAMPT (0.43) NAMPTRORCSCN3A
SCHEMBL4767917 0.79 LMNA (0.45) NAMPTRORCITKALDH1A1LMNA
SCHEMBL4767910 0.79 LMNA (0.45) NAMPTRORCITKALDH1A1LMNA
SCHEMBL4794402 0.79 LMNA (0.45) NAMPTRORCITKALDH1A1LMNA
SCHEMBL4777334 0.79 SCN3A (0.46) NAMPTSCN3APPARGPPARATDP1
SCHEMBL4770850 0.76 NAMPT (0.44) NAMPTRORCALDH1A1MEN1LMNA

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 3369/4885RORC 1743/4885SCN3A 3406/4885

“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.