SCHEMBL8056142

SCHEMBL8056142

Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.50
GRIA2 P42262 4/20 0.50
GRIA3 P42263 4/20 0.50
GRIA4 P48058 4/20 0.50
GRIN2D O15399 12/20 0.48
GRIN3B O60391 12/20 0.48
GRIN1 Q05586 12/20 0.48
GRIN2A Q12879 12/20 0.48
GRIN2B Q13224 12/20 0.48
GRIN2C Q14957 12/20 0.48
GRIN3A Q8TCU5 12/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
GRIK3 Q13003 2/20 0.43
GRIK4 Q16099 2/20 0.43
GRIK5 Q16478 2/20 0.43

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
SCHEMBL7464140 0.89 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL3686484 0.86 RXFP1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7957837 0.84 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL3686813 0.82 KDM4E (0.48) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7958054 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7460818 0.81 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8062471 0.81 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7465885 0.80 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7465894 0.80 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7532574 0.78 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4GRIN2D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096744-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 2000-08-01 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-6096744-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 2000-08-01 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 (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.