SCHEMBL4777516

SCHEMBL4777516

COC(=O)NCCCCNC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL4769612 0.99 HDAC6 (0.42) L3MBTL1HDAC6ALDH1A1HIF1ANPC1
SCHEMBL4767724 0.98 L3MBTL1 (0.41) L3MBTL1HDAC6ALDH1A1HIF1ANPC1
SCHEMBL4775215 0.91 DRD2 (0.45) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A
SCHEMBL4777421 0.90 L3MBTL1 (0.43) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A
SCHEMBL4767847 0.90 DRD2 (0.47) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A
SCHEMBL4773304 0.89 ALDH1A1 (0.44) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A
SCHEMBL4767750 0.89 HDAC6 (0.44) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A
SCHEMBL4774787 0.89 HPGD (0.47) L3MBTL1ALDH1A1HIF1AKMT2ATRPV1
SCHEMBL4767898 0.89 DRD2 (0.43) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A
SCHEMBL4767744 0.88 L3MBTL1 (0.41) L3MBTL1HDAC6ALDH1A1HIF1AKMT2A

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 L3MBTL1 2781/4885HDAC6 137/4885ALDH1A1 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.