SCHEMBL3686797

SCHEMBL3686797

N#Cc1cc([N+](=O)[O-])c2[nH]c(=O)c(=O)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 11/20 1.00
GRIN3B O60391 11/20 1.00
GRIN1 Q05586 11/20 1.00
GRIN2A Q12879 11/20 1.00
GRIN2B Q13224 11/20 1.00
GRIN2C Q14957 11/20 1.00
GRIN3A Q8TCU5 11/20 1.00
GRIA1 P42261 3/20 0.56
GRIA2 P42262 3/20 0.56
GRIA3 P42263 3/20 0.56
GRIA4 P48058 3/20 0.56
CYP1A2 P05177 2/20 0.56
MAPT P10636 2/20 0.56
ALOX15 P16050 1/20 0.56
VCAM1 P19320 3/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
GRIK1 P39086 1/20 0.51

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
SCHEMBL3681753 0.79 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9747072 0.77 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4706926 0.77 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7779680 0.76 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7350067 0.76 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7786927 0.75 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1662279 0.72 GRIA2 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30905563 0.72 GRIA2 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784783 0.72 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8091823 0.72 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 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

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 GRIN2D 30/4885GRIN3B 17/4885GRIN1 4/4885

“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.