SCHEMBL7786691

SCHEMBL7786691

CCc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
VCAM1 P19320 1/20 0.51
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.50
RORC P51449 1/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE7A Q13946 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2205749 0.85 HSD17B10 (0.62) HSD17B10VCAM1ALDH1A1KMT2ALMNA
SCHEMBL868877 0.85 HSD17B10 (0.62) HSD17B10VCAM1ALDH1A1KMT2ALMNA
SCHEMBL13241715 0.85 HSD17B10 (0.62) HSD17B10VCAM1ALDH1A1KMT2ARORC
SCHEMBL11303939 0.84 HSD17B10 (0.53) HSD17B10ALDH1A1KMT2AMAPTLMNA
SCHEMBL4010461 0.83 HSD17B10 (0.51) HSD17B10VCAM1ALDH1A1KMT2AMAPT
SCHEMBL844111 0.83 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1KMT2AMAPT
SCHEMBL3710161 0.83 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1KMT2ALMNA
SCHEMBL7073889 0.83 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1KMT2ALMNA
SCHEMBL28978217 0.83 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1KMT2AMAPT
SCHEMBL29672035 0.83 HSD17B10 (0.60) HSD17B10VCAM1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020221894-A1 ANTIVIRAL COMPOUNDS Universität Wien (AT) 2020-11-05 WO disclosed
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
EP-1818340-A1 GLYCOPEPTIDE ANTIBIOTIC MONOMER DERIVATIVES National University Corporation Nagoya University (JP) 2007-08-15 EP disclosed
WO-2007062175-A2 SPIRO-SUBSTITUTED TRICYCLIC HETEROCYCLES CXCR3 ANTAGONISTS AMGEN INC. (US) 2007-05-31 WO 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
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 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
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-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
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-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
US-3989756-A RANEY CATALYST, DEHALOGENATION INHIBITOR NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1976-11-02 US disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 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 (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-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives PHKG1, PHKG2, PLK2 HSD17B10 1867/4885VCAM1 3477/4885ALDH1A1 3558/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 HSD17B10 1961/4885VCAM1 3828/4885ALDH1A1 3827/4885

“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.