SCHEMBL4773250

SCHEMBL4773250

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.43
CXCR3 P49682 1/20 0.43
NAMPT P43490 1/20 0.42
ITK Q08881 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL4768151 0.82 MAPT (0.49) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL4777709 0.82 PPARG (0.48) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL4777334 0.81 SCN3A (0.46) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL5571585 0.81 MAPK14 (0.44) SCN3AKMT2AMEN1PKMALDH1A1
SCHEMBL4773151 0.81 MAPT (0.44) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL4767854 0.81 MAPT (0.46) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL4776425 0.81 TDP1 (0.42) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL4774976 0.80 ITK (0.46) SCN3AKMT2AMEN1ALDH1A1NAMPT
SCHEMBL5568785 0.80 SCN3A (0.43) SCN3AKMT2AMEN1PKMALDH1A1
SCHEMBL4773262 0.80 GAA (0.54) SCN3AKMT2AMEN1PKMALDH1A1

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 SCN3A 3406/4885KMT2A 1501/4885MEN1 1302/4885

“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.