SCHEMBL4773523

SCHEMBL4773523

CN(C)CC(=O)NCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CCc3cccc(Cl)c3Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
NR1H4 Q96RI1 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
CA2 P00918 1/20 0.37
GAA P10253 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
SCHEMBL4777500 0.88 EPHX2 (0.45) EPHX2NR1H4ALDH1A1MAPTPPARG
SCHEMBL4776525 0.87 PPARA (0.47) EPHX2NR1H4MAPTPPARGPPARA
SCHEMBL4775200 0.86 L3MBTL1 (0.47) ALDH1A1LMNAMAPTPPARGPPARA
SCHEMBL4773551 0.86 PPARA (0.45) EPHX2NR1H4ALDH1A1PPARGPPARA
SCHEMBL4771091 0.86 EPHX2 (0.43) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL4776480 0.86 PPARG (0.44) EPHX2NR1H4ALDH1A1MAPTPPARG
SCHEMBL4773543 0.84 EPHX2 (0.42) EPHX2NR1H4ALDH1A1LMNAMAPT
SCHEMBL5571827 0.82 ALDH1A1 (0.46) EPHX2NR1H4ALDH1A1LMNAPPARG
SCHEMBL4769626 0.81 SMN1; SMN2 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4768042 0.81 HPGD (0.47) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1

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.