SCHEMBL4564672

SCHEMBL4564672

O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n2ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.67
GRIA2 P42262 2/20 0.67
GRIA3 P42263 2/20 0.67
GRIA4 P48058 2/20 0.67
GRIK1 P39086 1/20 0.67
GRIK2 Q13002 1/20 0.67
GRIK3 Q13003 1/20 0.67
GRIK4 Q16099 1/20 0.67
GRIK5 Q16478 1/20 0.67
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60

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
Ym-90K SCHEMBL29798088 0.81 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL2049549 0.81 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911643 0.81 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL13227266 0.80 SLC22A6 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL29384442 0.80 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL1055529 0.80 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL678466 0.80 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
Water SCHEMBL8145177 0.78 GRIK1 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1
Water SCHEMBL9423395 0.78 GRIK1 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911406 0.77 GRIK1 (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238654-B2 Singleton inhibitors of sumoylation enzymes and methods for their use CITY OF HOPE (US) 2016-01-19 US disclosed
US-20130317101-A1 SINGLETON INHIBITORS OF SUMOYLATION ENZYMES AND METHODS FOR THEIR USE Sanford-Burnham Medical Research Institute at Lake Nona (US) 2013-11-28 US disclosed
US-20130245032-A1 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS OF THEIR USE Sanford-Burnham Medical Research Institute at Lake Nona (US) 2013-09-19 US disclosed
WO-2012064897-A2 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS FOR THEIR USE CHEN YUAN (US) 2012-05-18 WO disclosed
WO-2012064898-A1 SINGLETON INHIBITORS OF SUMOYLATION ENZYMES AND METHODS FOR THEIR USE CHEN YUAN (US) 2012-05-18 WO 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 (2 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-20130317101-A1 SINGLETON INHIBITORS OF SUMOYLATION ENZYMES AND METHODS FOR THEIR USE SUMO1, SUMO2, SAE1 GRIA1 3524/4885GRIA2 4122/4885GRIA3 3887/4885
US-20130245032-A1 BICYCLIC AND TRICYCLIC INHIBITORS OF SUMOYLATION ENZYMES AND METHODS OF THEIR USE SUMO1, SUMO2, SAE1 GRIA1 3043/4885GRIA2 3399/4885GRIA3 3678/4885

“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.