SCHEMBL3686484

SCHEMBL3686484

Cc1ccc(S(=O)(=O)N(C)Cc2c(C)c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.54
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 3/20 0.53
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
GRIA1 P42261 4/20 0.47
GRIA2 P42262 4/20 0.47
GRIA3 P42263 4/20 0.47
GRIA4 P48058 4/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3686813 0.87 KDM4E (0.48) RXFP1KDM4EHSD17B10GRIN2DGRIN3B
SCHEMBL8056142 0.86 GRIA1 (0.50) KDM4EHSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL7464140 0.82 GRIA1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8062471 0.81 GRIA1 (0.42) RXFP1KDM4EHSD17B10GRIN2DGRIN3B
SCHEMBL7957837 0.81 GRIA1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7958054 0.78 GRIA1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7460818 0.78 GRIA1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7465885 0.76 GRIA1 (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7465894 0.76 GRIA1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7964396 0.75 GRIA1 (0.46) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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-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-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 RXFP1 381/4885KDM4E 2324/4885HSD17B10 3086/4885

“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.