SCHEMBL4301699

SCHEMBL4301699

COc1ccc2ncc(=O)n(CCN3CC[C@@H](O)[C@H](CNCc4cc5c(cn4)OCCO5)C3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.71

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
SCHEMBL3843878 1.00 KCNH2 (0.71) KCNH2
Hydrochloric Acid SCHEMBL4299642 0.99 KCNH2 (0.70) KCNH2
Hydrochloric Acid SCHEMBL4299649 0.99 KCNH2 (0.70) KCNH2
SCHEMBL12047226 0.94 KCNH2 (0.63) KCNH2
SCHEMBL4304877 0.94 KCNH2 (0.68) KCNH2
SCHEMBL12046913 0.94 KCNH2 (0.68) KCNH2
Hydrochloric Acid SCHEMBL4299121 0.94 KCNH2 (0.68) KCNH2
SCHEMBL12046860 0.91 KCNH2 (0.75) KCNH2
SCHEMBL12046817 0.88 KCNH2 (0.71) KCNH2
Benzoic Acid SCHEMBL4294820 0.88 KCNH2 (0.61) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US claimed

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 2142/4885

“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.