SCHEMBL3757258

SCHEMBL3757258

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.74
APP P05067 2/20 0.71
MAPT P10636 2/20 0.71
SNCA P37840 2/20 0.71
NOX4 Q9NPH5 1/20 0.70
PDGFRB P09619 1/20 0.67
JAK3 P52333 1/20 0.67
RET P07949 2/20 0.64
LRRK2 Q5S007 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CAPN9 O14815 1/20 0.58
CASP3 P42574 1/20 0.58
CCNE1 P24864 1/20 0.58
CDK2 P24941 1/20 0.58
METAP1 P53582 1/20 0.56

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
SCHEMBL3757263 1.00 GSK3B (0.74) GSK3BAPPMAPTSNCANOX4
SCHEMBL31219496 1.00 GSK3B (0.74) GSK3BAPPMAPTSNCANOX4
SCHEMBL3752053 0.87 NOX4 (0.70) GSK3BAPPMAPTSNCANOX4
SCHEMBL13080906 0.85 GSK3B (1.00) GSK3BAPPMAPTSNCANOX4
SCHEMBL3798469 0.85 APP (0.74) GSK3BAPPMAPTSNCANOX4
SCHEMBL13081090 0.85 APP (0.74) GSK3BAPPMAPTSNCANOX4
SCHEMBL3798471 0.85 APP (0.74) GSK3BAPPMAPTSNCANOX4
SCHEMBL3754352 0.84 NOX4 (0.67) GSK3BAPPMAPTSNCANOX4
SCHEMBL1849235 0.84 APP (0.67) GSK3BAPPMAPTSNCANOX4
SCHEMBL1851095 0.84 RET (0.67) GSK3BAPPMAPTSNCANOX4

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-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
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
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 GSK3B 69/4885APP 31/4885MAPT 59/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT GSK3B 44/4885APP 38/4885MAPT 43/4885

“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.