SCHEMBL3754813

SCHEMBL3754813

COc1cc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.68
CDK2 P24941 1/20 0.68
PLK4 O00444 1/20 0.61
GSK3B P49841 8/20 0.61
NOX4 Q9NPH5 1/20 0.60
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
PDGFRB P09619 1/20 0.56
JAK3 P52333 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RET P07949 2/20 0.54
LRRK2 Q5S007 1/20 0.53

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
SCHEMBL1851097 0.84 RET (0.67) CCNE1CDK2GSK3BNOX4PDE4A
SCHEMBL1851095 0.84 RET (0.67) CCNE1CDK2GSK3BNOX4PDE4A
SCHEMBL13080904 0.84 RET (0.67) CCNE1CDK2GSK3BNOX4PDE4A
SCHEMBL6683686 0.84 CCNE1 (0.64) CCNE1CDK2PLK4GSK3BNOX4
SCHEMBL5480412 0.81 LRRK2 (0.78) PLK4GSK3BLRRK2
SCHEMBL5480416 0.81 LRRK2 (0.78) PLK4GSK3BLRRK2
SCHEMBL13080514 0.80 CCNE1 (0.66) CCNE1CDK2GSK3BNOX4PDE4A
SCHEMBL3754352 0.80 NOX4 (0.67) CCNE1CDK2GSK3BNOX4PDGFRB
SCHEMBL3752053 0.80 NOX4 (0.70) CCNE1CDK2GSK3BNOX4PDE4A
SCHEMBL3757258 0.79 GSK3B (0.74) CCNE1CDK2GSK3BNOX4PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US claimed
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 CCNE1 3889/4885CDK2 815/4885PLK4 1784/4885

“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.