SCHEMBL13080906

SCHEMBL13080906

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 1.00
TGM2 P21980 1/20 0.67
MAPT P10636 3/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
NOX4 Q9NPH5 1/20 0.61
PDGFRB P09619 1/20 0.60
JAK3 P52333 1/20 0.60
APP P05067 2/20 0.56
SNCA P37840 2/20 0.56
RET P07949 2/20 0.55
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CAPN9 O14815 1/20 0.51
CASP3 P42574 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAF1 P04049 1/20 0.50
PIK3C3 Q8NEB9 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
SCHEMBL3757263 0.85 GSK3B (0.74) GSK3BMAPTNOX4PDGFRBJAK3
SCHEMBL3757258 0.85 GSK3B (0.74) GSK3BMAPTNOX4PDGFRBJAK3
SCHEMBL31219496 0.85 GSK3B (0.74) GSK3BMAPTNOX4PDGFRBJAK3
SCHEMBL6833732 0.81 MAPT (0.70) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL27613119 0.81 LRRK2 (0.71) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL13080521 0.81 LRRK2 (0.71) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL13081136 0.81 MAPT (0.70) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL5365953 0.81 MAPT (0.70) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL6857818 0.81 MAPT (0.70) GSK3BTGM2MAPTMAPK1HTT
SCHEMBL9900914 0.80 TGM2 (1.00) GSK3BTGM2MAPTNOX4PDGFRB

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 GSK3B 69/4885TGM2 3663/4885MAPT 59/4885

“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.