SCHEMBL4773022

SCHEMBL4773022

CN(C)C(=O)c1ccc(CNC(=O)c2ccc(N(CCCCc3cccc(Cl)c3Cl)S(N)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 3/20 0.38
NAMPT P43490 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5571912 0.89 EPHX2 (0.40) CA2EPHX2NR1H4GAAKDM4E
SCHEMBL4773098 0.82 GAA (0.43) CA2GAACA1NAMPTSMN1; SMN2
SCHEMBL4773019 0.80 GAA (0.46) CA2EPHX2NR1H4GAAKDM4E
SCHEMBL5568007 0.80 GAA (0.46) CA2EPHX2NR1H4GAAKDM4E
SCHEMBL4776124 0.80 GAA (0.44) CA2GAACA1NAMPTSMN1; SMN2
SCHEMBL5571908 0.77 GAA (0.43) CA2EPHX2NR1H4GAAKDM4E
SCHEMBL4775048 0.76 GAA (0.70) EPHX2NR1H4GAAALDH1A1NAMPT
SCHEMBL4776622 0.76 GAA (0.44) CA2EPHX2NR1H4GAAKDM4E
SCHEMBL5572009 0.76 GAA (0.44) CA2EPHX2NR1H4GAAKDM4E
SCHEMBL4776528 0.74 GAA (0.62) CA2GAAALDH1A1SMN1; SMN2LMNA

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 CA2 2238/4885EPHX2 2831/4885NR1H4 2096/4885

“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.