SCHEMBL3678192

SCHEMBL3678192

CNS(=O)(=O)c1ccc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.53
VCAM1 P19320 1/20 0.51
GRIA1 P42261 5/20 0.50
GRIA2 P42262 5/20 0.50
GRIA3 P42263 5/20 0.50
GRIA4 P48058 5/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 2/20 0.50
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
GRIK3 Q13003 2/20 0.50
GRIK4 Q16099 2/20 0.50
GRIK5 Q16478 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GRM6 O15303 1/20 0.50
GLA P06280 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL3685198 0.95 TAS2R14 (0.53) TAS2R14VCAM1GRIA1GRIA2GRIA3
SCHEMBL3682051 0.84 MAPT (0.62) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3692380 0.82 VCAM1 (0.54) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3686541 0.81 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3683066 0.79 MAPT (0.52) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3687754 0.79 MAPT (0.62) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3683417 0.78 ALDH1A1 (0.51) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3682827 0.78 GRIA1 (0.75) TAS2R14VCAM1GRIA1GRIA2GRIA3
SCHEMBL9746859 0.77 GRIA1 (0.47) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3680520 0.73 GRIA1 (0.47) VCAM1GRIA1GRIA2GRIA3GRIA4

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 TAS2R14 1868/4885VCAM1 222/4885GRIA1 10/4885

“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.