Sugi Predict

Sugi Predict / Compounds / SCHEMBL4773344

SCHEMBL4773344

SCHEMBL4773344

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD3 P35462 4/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ HTR1A P08908 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
SCHEMBL4767744 0.99 L3MBTL1 (0.41) HDAC6L3MBTL1ALDH1A1HIF1ACA12
SCHEMBL4773009 0.97 L3MBTL1 (0.41) HDAC6L3MBTL1ALDH1A1HIF1ACA12
SCHEMBL4767750 0.90 HDAC6 (0.44) HDAC6L3MBTL1ALDH1A1HIF1ACA2
SCHEMBL4768057 0.89 L3MBTL1 (0.43) HDAC6L3MBTL1ALDH1A1HIF1ACA12
SCHEMBL4777421 0.89 L3MBTL1 (0.43) HDAC6L3MBTL1ALDH1A1HIF1ACA12
SCHEMBL4769612 0.89 HDAC6 (0.42) HDAC6L3MBTL1ALDH1A1HIF1AKMT2A
SCHEMBL4776458 0.88 HDAC6 (0.44) HDAC6L3MBTL1ALDH1A1HIF1ACA12
SCHEMBL4777516 0.87 L3MBTL1 (0.41) HDAC6L3MBTL1ALDH1A1HIF1AKMT2A
SCHEMBL4773557 0.87 L3MBTL1 (0.43) HDAC6L3MBTL1ALDH1A1HIF1ACA12
SCHEMBL4773486 0.87 L3MBTL1 (0.43) HDAC6L3MBTL1ALDH1A1HIF1ACA12

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 137/4885L3MBTL1 2781/4885ALDH1A1 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.