SCHEMBL3754352

SCHEMBL3754352

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1cc(Br)cc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.67
RET P07949 4/20 0.65
GSK3B P49841 6/20 0.64
PDGFRB P09619 1/20 0.61
JAK3 P52333 1/20 0.61
APP P05067 2/20 0.57
MAPT P10636 2/20 0.57
SNCA P37840 2/20 0.57
CAPN9 O14815 1/20 0.56
CASP3 P42574 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAP1LC3B Q9GZQ8 1/20 0.50

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
SCHEMBL1395341 0.86 NOX4 (0.69) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL1395339 0.86 NOX4 (0.69) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL3757258 0.84 GSK3B (0.74) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL31219496 0.84 GSK3B (0.74) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL3757263 0.84 GSK3B (0.74) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL3750013 0.82 MAP1LC3B (0.69) RETPDGFRBMAPTMEN1KMT2A
SCHEMBL3752053 0.82 NOX4 (0.70) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL6683690 0.81 NOX4 (0.69) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL1394868 0.81 NOX4 (0.69) NOX4RETGSK3BPDGFRBJAK3
SCHEMBL1394867 0.81 NOX4 (0.69) NOX4RETGSK3BPDGFRBJAK3

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 3 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-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 NOX4 2601/4885RET 4729/4885GSK3B 69/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT NOX4 1592/4885RET 4667/4885GSK3B 44/4885

“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.