SCHEMBL4773019

SCHEMBL4773019

CN(C)C(=O)c1ccc(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(=O)(=O)CCCN)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CA2 P00918 1/20 0.43
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 5/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NAMPT P43490 5/20 0.38
PKM P14618 1/20 0.36

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
SCHEMBL5568007 0.92 GAA (0.46) GAACA2EPHX2NR1H4ALDH1A1
SCHEMBL5571908 0.91 GAA (0.43) GAACA2EPHX2NR1H4ALDH1A1
SCHEMBL5572009 0.89 GAA (0.44) GAACA2EPHX2NR1H4ALDH1A1
SCHEMBL4776622 0.89 GAA (0.44) GAACA2EPHX2NR1H4ALDH1A1
SCHEMBL4773091 0.82 GAA (0.46) GAACA2LMNAMAPTSMN1; SMN2
SCHEMBL4776528 0.81 GAA (0.62) GAACA2ALDH1A1LMNASMN1; SMN2
SCHEMBL4773022 0.80 CA2 (0.44) GAACA2EPHX2NR1H4ALDH1A1
SCHEMBL4775048 0.79 GAA (0.70) GAAEPHX2NR1H4ALDH1A1LMNA
SCHEMBL4767980 0.78 GAA (0.61) GAACA2EPHX2NR1H4ALDH1A1
SCHEMBL5571912 0.78 EPHX2 (0.40) GAACA2EPHX2NR1H4ALDH1A1

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 GAA 466/4885CA2 2238/4885EPHX2 2831/4885

“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.