SCHEMBL5520005

SCHEMBL5520005

COc1ccc2nccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.53
TBK1 Q9UHD2 3/20 0.46
MAP4K4 O95819 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
SCHEMBL3960269 0.84 KCNH2 (0.41) KCNH2TBK1MAP4K4
SCHEMBL14610728 0.82 KCNH2 (0.66) KCNH2
SCHEMBL31623742 0.82 KCNH2 (0.66) KCNH2
SCHEMBL634126 0.81 KCNH2 (0.44) KCNH2
SCHEMBL634125 0.81 KCNH2 (0.44) KCNH2
SCHEMBL5775818 0.80 MAP4K4 (0.45) KCNH2TBK1MAP4K4
SCHEMBL3955585 0.80 KCNH2 (0.55) KCNH2
SCHEMBL3955705 0.79 KCNH2 (0.53) KCNH2
SCHEMBL3250060 0.79 KCNH2 (0.62) KCNH2
SCHEMBL4166252 0.78 KCNH2 (0.51) 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-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 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-20070161627-A1 Antibacterial agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885TBK1 353/4885MAP4K4 813/4885

“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.