SCHEMBL4452054

SCHEMBL4452054

COc1cc(OC)nc(NC(=O)NS(=O)(=O)C2(C(=O)C3CC3)C=CC=CC2N)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CDK1 P06493 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8106632 0.79 GAA (0.46) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL6313348 0.73 GAA (0.48) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL8780934 0.69 GAA (0.61) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL11256862 0.68 CYP1A2 (0.45) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL11204137 0.67 GAA (0.40) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL11098013 0.67 GAA (0.40) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL10859355 0.67 GAA (0.63) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL8676026 0.67 GAA (0.63) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL10845469 0.67 GAA (0.46) GAACYP1A2ALDH1A1CDK1MAPT
SCHEMBL8167976 0.67 GAA (0.43) GAACYP1A2ALDH1A1CDK1MAPT

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-7638506-B2 cationic surfactants; wear resistance; kneading, extrusion; sustained release KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-29 US disclosed
US-20050250648-A1 Granular agricultura-chemical composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-10 US disclosed
EP-1498030-A1 GRANULAR AGRICULTURAL-CHEMICAL COMPOSITION KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-01-19 EP disclosed
US-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 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 (2 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-20050250648-A1 Granular agricultura-chemical composition PRKG1, PRKAG2, AGK GAA 98/4885CYP1A2 3877/4885ALDH1A1 3414/4885
US-20020004457-A1 Herbicidal composition PPOX, ALAD, DDT GAA 288/4885CYP1A2 47/4885ALDH1A1 812/4885

“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.