SCHEMBL12046563

SCHEMBL12046563

COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(nn4)OCCO5)CC3)c2n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.72
KCNQ1 P51787 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
Fumaric Acid SCHEMBL4304321 0.94 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL4304315 0.94 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
SCHEMBL4296965 0.94 KCNH2 (0.81) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL4305596 0.93 KCNH2 (0.80) KCNH2KCNQ1CACNA1C
SCHEMBL3864182 0.90 KCNH2 (0.78) KCNH2
SCHEMBL4140469 0.90 KCNH2 (0.88) KCNH2
Hydrochloric Acid SCHEMBL4296846 0.89 KCNH2 (0.77) KCNH2
Hydrochloric Acid SCHEMBL4303125 0.89 KCNH2 (0.87) KCNH2
Fumaric Acid SCHEMBL4304965 0.89 KCNH2 (0.73) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL4304961 0.89 KCNH2 (0.73) KCNH2KCNQ1CACNA1C

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-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US 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
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US 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 KCNH2 2142/4885KCNQ1 297/4885CACNA1C 4176/4885

“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.