SCHEMBL3680141

SCHEMBL3680141

CCOP(=O)(Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3c(S(N)(=O)=O)cccc3c21)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.53
GRIK2 Q13002 4/20 0.53
GRIK3 Q13003 4/20 0.53
GRIK4 Q16099 4/20 0.53
GRIK5 Q16478 4/20 0.53
GRIA1 P42261 3/20 0.53
GRIA2 P42262 3/20 0.53
GRIA3 P42263 3/20 0.53
GRIA4 P48058 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
GRM6 O15303 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 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
SCHEMBL8621697 0.89 GRIK1 (0.38) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL3683015 0.87 GRIA1 (0.58) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8624233 0.84 GRIA1 (0.38) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8621605 0.84 PARP1 (0.42) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8617971 0.84 SIRT2 (0.40) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8623608 0.84 GRIK1 (0.38) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8617950 0.83 KDM4E (0.52) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8624317 0.82 KDM4E (0.51) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8624851 0.82 KMT2A (0.33) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8622998 0.81 KDM4E (0.49) GRIK1GRIK2GRIK3GRIK4GRIK5

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 6 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-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 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 GRIK1 14/4885GRIK2 16/4885GRIK3 18/4885

“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.