SCHEMBL13839752

SCHEMBL13839752

CO[C@@H]1CN(CC2Cn3c(=O)ccc4ncc(F)c2c43)CC[C@@H]1NCC1C=C2CCOC2=C(C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.46

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
SCHEMBL13315219 0.78 KCNH2 (0.49) KCNH2
SCHEMBL3547809 0.78 KCNH2 (0.49) KCNH2
SCHEMBL3543479 0.76 KCNH2 (0.76) KCNH2
SCHEMBL13315215 0.75 KCNH2 (0.47) KCNH2
SCHEMBL3547140 0.75 KCNH2 (0.64) KCNH2
SCHEMBL14386284 0.75 KCNH2 (0.64) KCNH2
SCHEMBL3545146 0.73 KCNH2 (0.52) KCNH2
SCHEMBL3543685 0.73 KCNH2 (0.61) KCNH2
SCHEMBL3543125 0.68 KCNH2 (0.53) KCNH2
SCHEMBL3543122 0.68 KCNH2 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS KCNH2 2161/4885

“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.