SCHEMBL4776616

SCHEMBL4776616

CNC(=O)N(CCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1)Cc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
NR1H4 Q96RI1 5/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRA P10827 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
EGFR P00533 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL4773601 0.85 MAPT (0.39) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL5572193 0.84 EPHX2 (0.44) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL5568007 0.77 GAA (0.46) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL4771091 0.76 EPHX2 (0.43) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL4773523 0.76 EPHX2 (0.41) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL4777500 0.74 EPHX2 (0.45) EPHX2NR1H4ALDH1A1MAPTPPARG
SCHEMBL4776622 0.74 GAA (0.44) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL4773019 0.73 GAA (0.46) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL4776525 0.73 PPARA (0.47) EPHX2NR1H4MAPTPPARGPPARA
SCHEMBL4775200 0.73 L3MBTL1 (0.47) ALDH1A1LMNAMAPTPPARGPPARA

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 EPHX2 2831/4885NR1H4 2096/4885ALDH1A1 2159/4885

“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.