SCHEMBL13080905

SCHEMBL13080905

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccc2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.67
PDGFRB P09619 1/20 0.57
JAK3 P52333 1/20 0.57
RET P07949 3/20 0.55
NOX4 Q9NPH5 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 3/20 0.51
APP P05067 2/20 0.51
SNCA P37840 2/20 0.51
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
TGM2 P21980 1/20 0.48

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
SCHEMBL13080589 0.81 LRRK2 (0.61) PDGFRBRETTGM2
SCHEMBL7138968 0.81 MAPT (0.49) GSK3BPDGFRBRETMEN1KMT2A
SCHEMBL1388393 0.81 PDPK1 (0.54) GSK3BPDGFRBRETMEN1KMT2A
SCHEMBL1388519 0.81 RET (0.54) GSK3BPDGFRBRETMEN1KMT2A
SCHEMBL13080586 0.81 FLT3 (0.56) PDGFRBMEN1KMT2ACCNE1CDK2
SCHEMBL7874137 0.81 GSK3B (0.59) GSK3BPDGFRBJAK3RETMEN1
SCHEMBL8291555 0.81 GSK3B (0.59) GSK3BPDGFRBJAK3RETMEN1
SCHEMBL1388800 0.79 TLK2 (0.57) PDGFRBJAK3MEN1KMT2ACDK2
SCHEMBL31219496 0.78 GSK3B (0.74) GSK3BPDGFRBJAK3RETNOX4
SCHEMBL3757263 0.78 GSK3B (0.74) GSK3BPDGFRBJAK3RETNOX4

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 69/4885PDGFRB 2159/4885JAK3 4001/4885

“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.