SCHEMBL910255

SCHEMBL910255

COc1ccc2ncc(=O)n(CCC(O)CN3CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)O)CC3C(C)(C)C)c2n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.52

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
SCHEMBL4779477 0.92 KCNH2 (0.57) KCNH2
SCHEMBL3665289 0.89 KCNH2 (0.60) KCNH2
SCHEMBL4778509 0.87 KCNH2 (0.51) KCNH2
SCHEMBL4778712 0.85 KCNH2 (0.57) KCNH2
SCHEMBL910254 0.83 KCNH2 (0.55) KCNH2
SCHEMBL3839224 0.82 KCNH2 (0.72) KCNH2
SCHEMBL6080762 0.81 KCNH2 (0.60) KCNH2
SCHEMBL4775988 0.79 KCNH2 (0.51) KCNH2
SCHEMBL4778333 0.79 KCNH2 (0.43) KCNH2
SCHEMBL4140282 0.77 KCNH2 (0.63) 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 KCNH2 3726/4885

“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.