SCHEMBL1750595

SCHEMBL1750595

[O-][n+]1onc2cc(Cl)c(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.51
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL8686838 1.00 GRIA2 (0.51) GRIA2CA12CA2CA9HSP90AA1
SCHEMBL11689069 0.85 GRIA2 (0.46) GRIA2CA12CA2CA9HSP90AA1
SCHEMBL11758539 0.85 GRIA2 (0.46) GRIA2CA12CA2CA9HSP90AA1
SCHEMBL7752547 0.76 CA12 (0.56) GRIA2CA12CA2CA9NPSR1
SCHEMBL16029847 0.69 GRIA2 (0.46) GRIA2CA12CA2CA9HSP90AA1
SCHEMBL4894972 0.68 CA12 (0.56) GRIA2CA12CA2CA9NPSR1
SCHEMBL11821726 0.64 CA12 (0.51) GRIA2CA12CA2CA9NPSR1
SCHEMBL6197084 0.64 GRIA2 (0.41) GRIA2CA12CA2CA9NPSR1
SCHEMBL10574018 0.64 CA12 (0.51) CA12CA2CA9
Benzo[C][1,2,5]Oxadiazole 1-Oxide SCHEMBL7574801 0.64 CA12 (0.47) GRIA2CA12CA2CA9PKM

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-7968713-B2 Method of synthesizing quinoxaline derivative by microwave irradiation NIHON UNIVERSITY (JP) 2011-06-28 US disclosed
US-20090048445-A1 Method of Synthesizing Quinoxaline Derivative by Microwave Irradiation NIHON UNIVERSITY (JP) 2009-02-19 US disclosed
WO-1998027969-A2 ANTIMICROBIAL PHENAZINE COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-07-02 WO disclosed
US-4001410-A MICROBIOCIDES AND LIVESTOCK GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3980779-A ANTIMICROBIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 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-20090048445-A1 Method of Synthesizing Quinoxaline Derivative by Microwave Irradiation PDXK, PDK2, NQO2 GRIA2 3439/4885CA12 3268/4885CA2 3674/4885

“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.