SCHEMBL5223944

SCHEMBL5223944

CC1=C(C(=O)Nc2ccccn2)C(c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
GAA P10253 2/20 0.69
HTT P42858 1/20 0.69
HPGD P15428 4/20 0.56
KDM4E B2RXH2 4/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
FFAR3 O14843 12/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL5222960 0.81 HSD17B10 (0.49) ALDH1A1GAAHPGDKDM4ECASP1
SCHEMBL5228150 0.80 ALDH1A1 (0.67) ALDH1A1GAAHTTHPGDKDM4E
SCHEMBL25260796 0.78 FFAR3 (0.59) ALDH1A1GAAHTTHPGDKDM4E
SCHEMBL7981102 0.76 HSD17B10 (0.64) ALDH1A1GAAHPGDKDM4ECASP1
SCHEMBL3324905 0.75 ALDH1A1 (0.71) ALDH1A1GAAHPGDKDM4ECASP1
SCHEMBL5226455 0.75 ALDH1A1 (0.69) ALDH1A1GAAHTTHPGDKDM4E
SCHEMBL3323212 0.75 ALDH1A1 (0.66) ALDH1A1GAAHPGDKDM4ECASP1
SCHEMBL8803951 0.74 HSD17B10 (0.46) ALDH1A1GAAHPGDKDM4ECASP1
SCHEMBL3324018 0.74 SMN1; SMN2 (0.58) ALDH1A1GAAHTTHPGDKDM4E
SCHEMBL25262257 0.72 HPGD (1.00) ALDH1A1GAAHTTHPGDKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP claimed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 WO claimed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 ALDH1A1 791/4885GAA 267/4885HTT 2212/4885

“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.