SCHEMBL4067925

SCHEMBL4067925

COc1cnc2ncc(Cl)c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.49
KCNQ1 P51787 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL4066048 0.91 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL4065915 0.88 KCNH2 (0.52) KCNH2KCNQ1CACNA1C
SCHEMBL4065674 0.85 KCNH2 (0.41) KCNH2
SCHEMBL4066049 0.85 KCNH2 (0.43) KCNH2KCNQ1CACNA1C
SCHEMBL4067923 0.83 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL2947398 0.82 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL4074247 0.81 KCNH2 (0.57) KCNH2KCNQ1CACNA1C
SCHEMBL4071573 0.80 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL4062218 0.78 SLC2A1 (0.47) KCNH2
Hydrochloric Acid SCHEMBL6080023 0.78 KCNH2 (0.67) KCNH2KCNQ1CACNA1C

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
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP claimed
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.