SCHEMBL5369296

SCHEMBL5369296

O=C1Nc2ccc(CCCl)cc2C1=Cc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.58
PLK4 O00444 1/20 0.48
LRRK2 Q5S007 4/20 0.46
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
GSK3B P49841 3/20 0.43
APP P05067 2/20 0.42
MAPT P10636 2/20 0.42
SNCA P37840 2/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
RAF1 P04049 1/20 0.41

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
SCHEMBL5366866 0.92 NOX4 (0.58) NOX4PLK4LRRK2PSEN1PSEN2
SCHEMBL7136333 0.84 MAPT (0.61) NOX4PSEN1PSEN2APH1BNCSTN
SCHEMBL7135240 0.84 KDR (0.44) NOX4LRRK2PSEN1PSEN2APH1B
SCHEMBL7136229 0.82 MAP1LC3B (0.57) NOX4PLK4LRRK2PSEN1PSEN2
SCHEMBL5367874 0.81 LRRK2 (0.54) NOX4PLK4LRRK2PSEN1PSEN2
SCHEMBL5370082 0.81 LRRK2 (0.70) NOX4PLK4LRRK2PSEN1PSEN2
SCHEMBL5357713 0.81 ERBB2 (0.53) NOX4LRRK2PSEN1PSEN2APH1B
SCHEMBL7133855 0.80 ERBB2 (0.53) NOX4PLK4LRRK2PSEN1PSEN2
SCHEMBL5367333 0.80 NOX4 (0.58) NOX4GSK3BAPPMAPTSNCA
SCHEMBL7133928 0.79 LRRK2 (0.53) PLK4LRRK2PSEN1PSEN2APH1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK NOX4 3452/4885PLK4 42/4885LRRK2 289/4885

“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.