SCHEMBL3879261

SCHEMBL3879261

Cn1c(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TSPO P30536 1/20 0.48
MET P08581 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
F2RL3 Q96RI0 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
F2R P25116 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MBD2 Q9UBB5 1/20 0.43
TSHR P16473 1/20 0.42
AR P10275 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11402837 0.85 F2RL3 (0.65) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL6017853 0.83 SMN1; SMN2 (0.53) MAPTKMT2ALMNASMN1; SMN2NPSR1
SCHEMBL3884447 0.82 EGFR (0.46) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4891807 0.74 F2RL3 (0.68) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL18102161 0.73 F2RL3 (0.67) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL18092648 0.72 F2RL3 (0.65) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL12652825 0.72 MAPT (0.48) MAPTTSPOMETMEN1KMT2A
SCHEMBL7593404 0.71 KMT2A (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL18092629 0.71 F2RL3 (0.64) MAPTMEN1KMT2AF2RL3LMNA
SCHEMBL27214760 0.70 ALDH1A1 (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2

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 5 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
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
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 MAPT 3176/4885TSPO 4649/4885MET 2911/4885

“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.