SCHEMBL3881804

SCHEMBL3881804

NC(=O)c1[nH]c2ccccc2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 7/20 0.69
MAPT P10636 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PARP1 P09874 1/20 0.48
IDO1 P14902 1/20 0.47
MET P08581 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
FASN P49327 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL18092674 0.84 MAPT (0.81) MAP2MAPTMEN1KMT2AKDM4E
SCHEMBL3878231 0.81 MAP2 (0.79) MAP2KDM4EALDH1A1HPGDGAA
SCHEMBL3888738 0.80 AR (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3878412 0.80 PARP1 (0.53) MAP2MAPTMEN1KMT2AKDM4E
SCHEMBL16454839 0.77 ESR1 (0.67) MAPTMEN1KMT2AIDO1FASN
SCHEMBL6988913 0.77 IMPDH2 (0.56) MAPTMEN1KMT2AGAAPARP1
SCHEMBL7679901 0.75 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7678017 0.75 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7678021 0.75 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7679897 0.75 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
CN-101098868-A Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA SA (FR) 2008-01-02 CN disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 MAP2 1170/4885MAPT 3176/4885MEN1 1095/4885

“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.