SCHEMBL3686820

SCHEMBL3686820

O=c1[nH]c2cc([N+](=O)[O-])c(C(F)(F)F)c([N+](=O)[O-])c2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 19/20 0.54
GRIN3B O60391 19/20 0.54
GRIN1 Q05586 19/20 0.54
GRIN2A Q12879 19/20 0.54
GRIN2B Q13224 19/20 0.54
GRIN2C Q14957 19/20 0.54
GRIN3A Q8TCU5 19/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
GRIK1 P39086 1/20 0.53
GRIA1 P42261 1/20 0.53
GRIA2 P42262 1/20 0.53
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53
BLM P54132 1/20 0.53
GRIK2 Q13002 1/20 0.53

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
SCHEMBL7784916 0.85 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784279 0.85 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784301 0.84 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784271 0.84 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7467202 0.84 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784752 0.80 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4706942 0.79 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784656 0.79 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3685096 0.79 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4705408 0.78 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-8603980-B2 Glutamate receptor antagonists and methods of use THE JOHNS HOPKINS UNIVERSITY (US) 2013-12-10 US disclosed
US-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-05 US 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
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
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE 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) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY 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) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE 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 (US) 1996-05-07 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 (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-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE GRM5, GRM1, GRM3 GRIN2D 30/4885GRIN3B 17/4885GRIN1 4/4885

“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.