SCHEMBL3676464

SCHEMBL3676464

NS(=O)(=O)c1ccc(Br)c2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.67
GRIA2 P42262 7/20 0.67
GRIA3 P42263 7/20 0.67
GRIA4 P48058 7/20 0.67
MAPT P10636 3/20 0.67
HPGD P15428 2/20 0.67
GRIK1 P39086 2/20 0.67
GRIK2 Q13002 2/20 0.67
GRIK3 Q13003 2/20 0.67
GRIK4 Q16099 2/20 0.67
GRIK5 Q16478 2/20 0.67
ALOX15 P16050 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
GRM6 O15303 1/20 0.67
ALDH1A1 P00352 1/20 0.67
GLA P06280 1/20 0.67
THRB P10828 1/20 0.67
CYP2C19 P33261 1/20 0.67
RECQL P46063 1/20 0.67

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
Nbqx SCHEMBL29356960 0.80 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4MAPT
Nbqx SCHEMBL120375 0.80 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4MAPT
Nbqx SCHEMBL3681836 0.79 GRIA1 (0.98) GRIA1GRIA2GRIA3GRIA4MAPT
Nbqx SCHEMBL2487669 0.79 GRIA1 (0.98) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3670356 0.77 GRIA1 (0.72) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8414052 0.75 GRIA2 (0.65) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9747110 0.73 MAPT (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3687754 0.72 MAPT (0.62) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3682051 0.72 MAPT (0.62) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL4706890 0.71 GRIA2 (0.74) GRIA1GRIA2GRIA3GRIA4MAPT

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 3 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
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP 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.