SCHEMBL7566464

SCHEMBL7566464

CCc1ccc([N+](=O)[O-])cc1CC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
HTT P42858 2/20 0.59
TSHR P16473 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ACHE P22303 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 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
SCHEMBL19336225 0.88 POLB (0.52) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL28218218 0.88 POLB (0.52) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL16950838 0.88 POLB (0.52) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL6681084 0.88 POLB (0.52) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL15835003 0.88 POLB (0.52) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL13248046 0.85 POLB (0.49) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL13375079 0.85 TSHR (0.53) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL11317000 0.85 HTT (0.49) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL10920062 0.85 POLB (0.50) POLBHTTTSHRTDP1ALDH1A1
SCHEMBL24773996 0.84 CYP1A2 (0.69) POLBHTTTDP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
CN-103649102-B The blocking group to photo-labile comprising diaryl sulfide skeleton 霍夫曼-拉罗奇有限公司 2017-06-09 CN disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US 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
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
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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET POLB 2680/4885HTT 4106/4885TSHR 1728/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET POLB 2680/4885HTT 4106/4885TSHR 1728/4885

“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.