SCHEMBL13624125

SCHEMBL13624125

O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.75
GRIA2 P42262 5/20 0.75
GRIA1 P42261 4/20 0.75
GRIA3 P42263 4/20 0.75
GRIA4 P48058 4/20 0.75
CYP1A2 P05177 2/20 0.75
GRIK1 P39086 2/20 0.75
GRIK2 Q13002 2/20 0.75
GRIK3 Q13003 2/20 0.75
GRIK4 Q16099 2/20 0.75
GRIK5 Q16478 2/20 0.75
GRIN2D O15399 1/20 0.75
GRIN3B O60391 1/20 0.75
LMNA P02545 1/20 0.75
CYP3A4 P08684 1/20 0.75
HPGD P15428 1/20 0.75
TSHR P16473 1/20 0.75
BLM P54132 1/20 0.75
GRIN1 Q05586 1/20 0.75
GRIN2A Q12879 1/20 0.75

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
SCHEMBL12314591 0.87 MAPT (0.59) MAPTGRIA2GRIA1GRIA3GRIA4
Dnqx SCHEMBL594575 0.86 GRIA2 (1.00) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL6974351 0.86 MAPT (0.57) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL1827794 0.86 MAPT (0.57) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL30349886 0.86 MAPT (0.57) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL1192728 0.86 MAPT (0.57) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL8129404 0.84 MAPT (0.60) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL30349806 0.81 MAPT (0.52) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL8688932 0.79 TSHR (0.55) MAPTGRIA2GRIA1GRIA3GRIA4
SCHEMBL7482757 0.77 GRIA2 (0.74) MAPTGRIA2GRIA1GRIA3GRIA4

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-8338609-B2 Ligand, metal complex compound containing the same, and method for producing the same, and method for producing molecular device FUJITSU LIMITED (JP) 2012-12-25 US disclosed
US-20090292123-A1 LIGAND, METAL COMPLEX COMPOUND CONTAINING THE SAME, AND METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING MOLECULAR DEVICE FUJITSU LIMITED (JP) 2009-11-26 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-20090292123-A1 LIGAND, METAL COMPLEX COMPOUND CONTAINING THE SAME, AND METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING MOLECULAR DEVICE ATIC, ORC3, ZC3HAV1L MAPT 2908/4885GRIA2 825/4885GRIA1 853/4885

“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.