SCHEMBL5228150

SCHEMBL5228150

CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.67
KDM4E B2RXH2 13/20 0.67
CASP1 P29466 3/20 0.67
CASP7 P55210 3/20 0.67
USP2 O75604 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 8/20 0.56
GAA P10253 7/20 0.56
GLA P06280 2/20 0.55
HTT P42858 1/20 0.55
GSK3B P49841 1/20 0.52
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 2/20 0.46
GALK1 P51570 3/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5226455 0.91 ALDH1A1 (0.69) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5224747 0.87 KDM4E (0.64) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5222526 0.81 GSK3B (0.60) ALDH1A1KDM4ECASP1CASP7SMN1; SMN2
SCHEMBL5196967 0.81 KDM4E (0.70) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5199144 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5223944 0.80 ALDH1A1 (0.69) ALDH1A1KDM4ECASP1CASP7SMN1; SMN2
SCHEMBL5198914 0.79 KDM4E (0.68) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5815747 0.77 NPSR1 (0.67) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5922591 0.74 KDM4E (0.66) ALDH1A1KDM4ECASP1CASP7USP2
SCHEMBL5922608 0.74 KDM4E (0.75) ALDH1A1KDM4ECASP1CASP7USP2

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
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP disclosed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US disclosed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 ALDH1A1 791/4885KDM4E 4051/4885CASP1 3086/4885

“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.