SCHEMBL5952479

SCHEMBL5952479

CCc1cc(N)c([N+](=O)[O-])cc1CC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 8/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 1/20 0.48
PKM P14618 1/20 0.42
RECQL P46063 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
SCHEMBL6835952 0.92 POLB (0.52) POLBHTTMAPTMEN1KMT2A
SCHEMBL13375170 0.91 MAPT (0.45) POLBHTTMAPTMEN1KMT2A
SCHEMBL11057069 0.90 MAPT (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL6834085 0.90 MAPT (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL13375180 0.88 POLB (0.46) POLBHTTMAPTMEN1KMT2A
SCHEMBL14659288 0.86 TSHR (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL2554501 0.86 TSHR (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL7473931 0.85 ALDH1A1 (0.54) POLBHTTMAPTMEN1KMT2A
SCHEMBL2880608 0.85 ALDH1A1 (0.50) POLBHTTMAPTMEN1KMT2A
SCHEMBL11379383 0.83 POLB (0.52) POLBHTTMAPTMEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
EP-0813608-B1 OSMIUM-CONTAINING REDOX MEDIATOR ROCHE DIAGNOSTICS CORP (US) 2002-09-04 EP disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP disclosed
EP-0813608-A4 OSMIUM-CONTAINING REDOX MEDIATOR ROCHE DIAGNOSTICS CORP (US) 2000-02-09 EP disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5846702-A Reagent including an osmium-containing redox mediator BOEHRINGER MANNHEIM CORPORATION (US) 1998-12-08 US disclosed
EP-0813608-A1 OSMIUM-CONTAINING REDOX MEDIATOR BOEHRINGER MANNHEIM CORPORATION (US) 1997-12-29 EP disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-05-20 US disclosed
US-5589326-A FOR ELECTROCHEMICAL BIOSENSORS BOEHRINGER MANNHEIM CORPORATION (US) 1996-12-31 US disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
WO-1996025514-A1 OSMIUM-CONTAINING REDOX MEDIATOR BOEHRINGER MANNHEIM CORPORATION (US) 1996-08-22 WO disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 POLB 2261/4885HTT 4828/4885MAPT 3479/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A POLB 2841/4885HTT 4860/4885MAPT 4186/4885

“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.