SCHEMBL4776728

SCHEMBL4776728

CN1CCCC1CCNC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
LCK P06239 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
ACKR3 P25106 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4768090 0.88 ALDH1A1 (0.46) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL5572216 0.87 ALDH1A1 (0.44) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL5568991 0.87 ALDH1A1 (0.44) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL5571358 0.85 ALDH1A1 (0.54) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL5572116 0.84 ALDH1A1 (0.42) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL5572112 0.83 ALDH1A1 (0.52) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL4770929 0.82 ALDH1A1 (0.51) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL4773331 0.82 RECQL (0.50) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL4777371 0.82 ALDH1A1 (0.57) ALDH1A1GAARECQLNPSR1KMT2A
SCHEMBL4777484 0.82 GAA (0.46) ALDH1A1GAARECQLNPSR1KMT2A

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 2159/4885GAA 466/4885RECQL 139/4885

“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.