SCHEMBL3612145

SCHEMBL3612145

O=C1COc2ccc(CNC[C@H]3CN(CC4CCc5c(F)cnc6ccc(=O)n4c56)C[C@H]3O)nc2N1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.47
KCNQ1 P51787 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
Hydrochloric Acid SCHEMBL3613173 0.99 KCNH2 (0.47) KCNH2KCNQ1CACNA1C
SCHEMBL3616109 0.89 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL3614016 0.89 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3620757 0.89 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3613778 0.88 KCNH2 (0.44) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3610404 0.86 KCNH2 (0.50) KCNH2KCNQ1CACNA1C
SCHEMBL13404504 0.83 KCNH2 (0.48) KCNH2
SCHEMBL3614123 0.83 KCNH2 (0.48) KCNH2
Hydrochloric Acid SCHEMBL3609365 0.82 KCNH2 (0.47) KCNH2
Hydrochloric Acid SCHEMBL3612006 0.81 KCNH2 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US claimed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS KCNH2 2914/4885KCNQ1 4122/4885CACNA1C 3180/4885

“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.