SCHEMBL13407429

SCHEMBL13407429

COc1cccc2nccc(NC(=O)[C@]3(O)CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45

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
SCHEMBL13407428 0.86 KCNH2 (0.43) KCNH2
Hydrochloric Acid SCHEMBL4559736 0.86 KCNH2 (0.42) KCNH2
Hydrochloric Acid SCHEMBL4559739 0.86 KCNH2 (0.42) KCNH2
Hydrochloric Acid SCHEMBL4559738 0.86 KCNH2 (0.42) KCNH2
SCHEMBL14498845 0.85 KCNH2 (0.63) KCNH2
SCHEMBL14498890 0.84 KCNH2 (0.60) KCNH2
SCHEMBL13407434 0.84 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL4557621 0.83 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL4557622 0.83 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL4557620 0.83 KCNH2 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 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-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KCNH2 3731/4885

“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.