SCHEMBL4776458

SCHEMBL4776458

NCCCCCNC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
NAMPT P43490 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD3 P35462 4/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
BRD4 O60885 1/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4773486 0.99 L3MBTL1 (0.43) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4776821 0.96 L3MBTL1 (0.43) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4767750 0.90 HDAC6 (0.44) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4777421 0.89 L3MBTL1 (0.43) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4773260 0.89 L3MBTL1 (0.44) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4769612 0.88 HDAC6 (0.42) HDAC6L3MBTL1ALDH1A1HIF1AKMT2A
SCHEMBL4773344 0.88 HDAC6 (0.42) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4777516 0.87 L3MBTL1 (0.41) HDAC6L3MBTL1ALDH1A1HIF1AKMT2A
SCHEMBL4767744 0.87 L3MBTL1 (0.41) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A
SCHEMBL4768057 0.87 L3MBTL1 (0.43) HDAC6NAMPTL3MBTL1ALDH1A1HIF1A

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 HDAC6 137/4885NAMPT 3369/4885L3MBTL1 2781/4885

“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.