SCHEMBL3690922

SCHEMBL3690922

N#CCCCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.69
GRIA2 P42262 7/20 0.69
GRIA3 P42263 7/20 0.69
GRIA4 P48058 7/20 0.69
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 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
SCHEMBL6784577 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL29798454 0.78 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL678318 0.78 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6785878 0.76 GRIA1 (0.88) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6780551 0.73 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7103934 0.72 GRIA1 (0.81) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7959740 0.72 GRIA1 (0.87) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8474001 0.71 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8351148 0.69 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8477906 0.69 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 US claimed
WO-1999025327-A2 SMALL MOLECULE INTERVENTION IN HIV-1 REPLICATION WARNER-LAMBERT COMPANY (US) 1999-05-27 WO claimed
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
EP-2150248-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE The Johns Hopkins University (US) 2010-02-10 EP disclosed
WO-2008088820-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2008-07-24 WO disclosed
US-5968928-A Excitatory amino acid antagonists: fused-azacyclic quinoxalinediones and immunoassays thereof WARNER-LAMBERT COMPANY (US) 1999-10-19 US disclosed
WO-1999025327-A2 SMALL MOLECULE INTERVENTION IN HIV-1 REPLICATION WARNER-LAMBERT COMPANY (US) 1999-05-27 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-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE GRM5, GRM1, GRM3 GRIA1 10/4885GRIA2 13/4885GRIA3 9/4885

“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.