SCHEMBL3846429

SCHEMBL3846429

COc1ccc([N+](=O)[O-])c(NCC(OC)OC)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.49
GSR P00390 1/20 0.43
S1PR4 O95977 2/20 0.43
MAPT P10636 2/20 0.43
S1PR1 P21453 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
JAK2 O60674 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL28489676 0.88 TXNRD1 (0.53) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL5832744 0.83 TXNRD1 (0.46) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL28489675 0.83 TXNRD1 (0.57) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL13728584 0.82 TXNRD1 (0.48) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL10654754 0.81 TXNRD1 (0.55) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL9794246 0.80 TXNRD1 (0.53) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL9794390 0.80 TXNRD1 (0.50) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL26930986 0.80 TXNRD1 (0.50) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL4308799 0.78 MAPT (0.65) TXNRD1GSRS1PR4MAPTS1PR1
SCHEMBL4305170 0.78 TXNRD1 (0.56) TXNRD1GSRS1PR4MAPTS1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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 (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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ TXNRD1 1890/4885GSR 1419/4885S1PR4 4504/4885

“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.