Sugi Predict

Sugi Predict / Compounds / SCHEMBL3680432

SCHEMBL3680432

SCHEMBL3680432

CC(n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3c(S(N)(=O)=O)cccc3c21)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ GRIA1 P42261 4/20 0.56
▸ GRIA2 P42262 4/20 0.56
▸ GRIA3 P42263 4/20 0.56
▸ GRIA4 P48058 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ GRIK1 P39086 2/20 0.56
▸ GRIK2 Q13002 2/20 0.56
▸ GRIK3 Q13003 2/20 0.56
▸ GRIK4 Q16099 2/20 0.56
▸ GRIK5 Q16478 2/20 0.56
▸ GRM6 O15303 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALOX15 P16050 1/20 0.56

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
SCHEMBL3682837 0.89 KMT2A (0.53) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL8617950 0.87 KDM4E (0.52) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL8620605 0.87 KMT2A (0.53) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL3673298 0.86 GRIK1 (0.57) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL3688250 0.84 GRIA1 (0.54) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL8621742 0.83 SIRT2 (0.43) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL8621313 0.83 CA2 (0.39) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL3683015 0.83 GRIA1 (0.58) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL8616631 0.83 GRIA1 (0.37) KMT2AMAPTGRIA1GRIA2GRIA3
SCHEMBL3691418 0.81 KMT2A (0.65) KMT2AMAPTGRIA1GRIA2GRIA3

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 7 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-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-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
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 KMT2A 1270/4885MAPT 4083/4885GRIA1 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.