SCHEMBL3404974

SCHEMBL3404974

COc1ccc2ncc(F)c(CC(O)CO[Si](C)(C)C(C)(C)C)c2n1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41

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
SCHEMBL1842385 0.88 KCNH2 (0.39) KCNH2
SCHEMBL1723353 0.83 KCNH2 (0.47) KCNH2
SCHEMBL1723676 0.83 KCNH2 (0.47) KCNH2
SCHEMBL4350684 0.82 KCNH2 (0.42) KCNH2
SCHEMBL4350687 0.82 KCNH2 (0.42) KCNH2
SCHEMBL3430268 0.82 KCNH2 (0.42) KCNH2
SCHEMBL3427897 0.80 KCNH2 (0.36) KCNH2
SCHEMBL3410398 0.78 CYP1A2 (0.31)
SCHEMBL3782875 0.78 CYP1A2 (0.31)
SCHEMBL1712326 0.77 KCNH2 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 KCNH2 1004/4885

“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.