SCHEMBL4776641

SCHEMBL4776641

O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)CCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TDP1 Q9NUW8 1/20 0.60
HTT P42858 5/20 0.54
CA2 P00918 1/20 0.54
NAMPT P43490 3/20 0.53
LMNA P02545 5/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KCNJ1 P48048 1/20 0.52
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL4768011 0.89 ALDH1A1 (0.62) ALDH1A1TDP1HTTCA2NAMPT
SCHEMBL4770884 0.81 ALDH1A1 (0.49) ALDH1A1TDP1NAMPTMEN1KMT2A
SCHEMBL4777461 0.80 TSHR (0.55) ALDH1A1TDP1NAMPTMEN1KMT2A
SCHEMBL4776645 0.77 GAA (0.81) ALDH1A1HTTCA2NAMPTLMNA
SCHEMBL4775200 0.76 L3MBTL1 (0.47) ALDH1A1TDP1CA2LMNANPSR1
SCHEMBL16286312 0.75 ALDH1A1 (0.76) ALDH1A1TDP1HTTCA2NAMPT
SCHEMBL11629091 0.75 KMT2A (0.80) ALDH1A1HTTCA2NAMPTLMNA
SCHEMBL12010903 0.73 TDP1 (0.91) ALDH1A1TDP1CA2NAMPTMEN1
SCHEMBL11630628 0.73 ALDH1A1 (0.76) ALDH1A1TDP1HTTCA2NAMPT
SCHEMBL4776525 0.73 PPARA (0.47) CA2MEN1KMT2ANPSR1MAPT

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 ALDH1A1 2159/4885TDP1 217/4885HTT 1020/4885

“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.