SCHEMBL13080904

SCHEMBL13080904

COc1ccc(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.67
NOX4 Q9NPH5 1/20 0.66
CCNE1 P24864 1/20 0.64
CDK2 P24941 1/20 0.64
GSK3B P49841 6/20 0.64
MAPT P10636 3/20 0.60
APP P05067 2/20 0.60
SNCA P37840 2/20 0.60
PDGFRB P09619 1/20 0.58
JAK3 P52333 1/20 0.58
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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 1.00 RET (0.67) RETNOX4CCNE1CDK2GSK3B
SCHEMBL1851095 1.00 RET (0.67) RETNOX4CCNE1CDK2GSK3B
SCHEMBL3752053 0.86 NOX4 (0.70) RETNOX4CCNE1CDK2GSK3B
SCHEMBL13080514 0.84 CCNE1 (0.66) RETNOX4CCNE1CDK2GSK3B
SCHEMBL3754813 0.84 CCNE1 (0.68) RETNOX4CCNE1CDK2GSK3B
SCHEMBL3757263 0.84 GSK3B (0.74) RETNOX4CCNE1CDK2GSK3B
SCHEMBL3757258 0.84 GSK3B (0.74) RETNOX4CCNE1CDK2GSK3B
SCHEMBL31219496 0.84 GSK3B (0.74) RETNOX4CCNE1CDK2GSK3B
SCHEMBL5695388 0.83 CAPN9 (0.52) RETNOX4CCNE1CDK2GSK3B
SCHEMBL1849236 0.83 APP (0.67) RETNOX4CCNE1CDK2GSK3B

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 1 patent. 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 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 RET 4729/4885NOX4 2601/4885CCNE1 3889/4885

“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.