SCHEMBL4067923

SCHEMBL4067923

COc1ccc2ncc(Cl)c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 0.57
KCNQ1 P51787 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL2954872 0.91 KCNH2 (0.65) KCNH2
SCHEMBL4065912 0.87 KCNH2 (0.56) KCNH2KCNQ1CACNA1C
SCHEMBL4066048 0.86 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL4075361 0.85 KCNH2 (0.43) KCNH2
SCHEMBL4066049 0.83 KCNH2 (0.43) KCNH2KCNQ1CACNA1C
SCHEMBL2953195 0.83 KCNH2 (0.60) KCNH2
SCHEMBL4067925 0.83 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL2953184 0.80 KCNH2 (0.61) KCNH2
SCHEMBL2949221 0.80 KCNH2 (0.52) KCNH2
SCHEMBL4062214 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885KCNQ1 1816/4885CACNA1C 4360/4885

“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.