SCHEMBL3176261

SCHEMBL3176261

COc1ccc2nccc(N3CCC(NCCNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
CYP8B1 Q9UNU6 1/20 0.38

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
SCHEMBL4065072 0.89 SIRT2 (0.39) CYP8B1
SCHEMBL3175737 0.88 CYP8B1 (0.40) KCNH2CYP8B1
SCHEMBL3176259 0.87 CYP8B1 (0.39) CYP8B1
SCHEMBL3178236 0.86 KCNH2 (0.44) KCNH2
SCHEMBL4070188 0.85 HTR1A (0.42)
Hydrochloric Acid SCHEMBL3162918 0.85 KCNH2 (0.44) KCNH2
SCHEMBL3169008 0.84 KCNH2 (0.40) KCNH2
SCHEMBL4225682 0.83 KCNH2 (0.41) KCNH2
SCHEMBL5752097 0.81 KCNH2 (0.51) KCNH2
SCHEMBL4067780 0.78 CYP8B1 (0.38) KCNH2CYP8B1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US claimed
EP-1773343-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-05-13 EP claimed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US claimed
EP-1773343-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP claimed
WO-2006017326-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO claimed
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
EP-1773343-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
EP-1773343-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006017326-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 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-20070203127-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885CYP8B1 965/4885

“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.