SCHEMBL2053498

SCHEMBL2053498

O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C(=O)O)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 13/20 1.00
GRIA2 P42262 13/20 1.00
GRIA3 P42263 13/20 1.00
GRIA4 P48058 13/20 1.00
GRIK1 P39086 12/20 1.00
GRIK2 Q13002 12/20 1.00
GRIK5 Q16478 11/20 1.00
GRIK3 Q13003 11/20 1.00
GRIK4 Q16099 6/20 1.00
SLC22A6 Q4U2R8 1/20 0.68
SLC22A8 Q8TCC7 1/20 0.68

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
SCHEMBL7662246 0.92 GRIA1 (0.86) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7666995 0.88 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8681277 0.87 GRIA1 (0.76) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8672098 0.87 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8611517 0.86 GRIK1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7668356 0.85 GRIA1 (0.75) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7662232 0.85 GRIA1 (0.87) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7662239 0.84 GRIA1 (0.72) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7664438 0.83 GRIK1 (0.77) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7476602 0.82 GRIK1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1

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
WO-2011076946-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALZHEIMER Universidad Del País Vasco (ES) 2011-06-30 WO claimed
US-20040152694-A1 Methods and compositions for treating inflammatory disorders of the airways IVAX DRUG RESEARCH INSTITUTE, LTD. 2004-08-05 US claimed
US-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-05 US disclosed
US-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-05 US disclosed
US-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof RAMOT AT AVIV UNIVERSITY LTD. (IL) 2010-06-10 US disclosed
US-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof RAMOT AT AVIV UNIVERSITY LTD. (IL) 2010-06-10 US disclosed
US-6407109-B1 ANTIEPILETIC, ANTIDEPRESSANT, AND ANXIOLYTIC AGENTS; PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2002-06-18 US 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 (3 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-20040152694-A1 Methods and compositions for treating inflammatory disorders of the airways LTB4R2, LTB4R, LTC4S GRIA1 2085/4885GRIA2 2341/4885GRIA3 2201/4885
US-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE GRM5, GRM1, GRM3 GRIA1 10/4885GRIA2 13/4885GRIA3 9/4885
US-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof GRM2, GRIN1, GRM3 GRIA1 22/4885GRIA2 21/4885GRIA3 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.