SCHEMBL5429397

SCHEMBL5429397

COc1ccc2nccc([C@H](O)CN3CCO[C@@H](CN(C(=O)O)C(C)(C)C)C3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.48
KCNH2 Q12809 5/20 0.48
CYP8B1 Q9UNU6 1/20 0.34

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
SCHEMBL5429391 1.00 SLC2A1 (0.48) SLC2A1KCNH2CYP8B1
SCHEMBL5426672 0.85 KCNH2 (0.51) SLC2A1KCNH2
SCHEMBL5429187 0.85 KCNH2 (0.51) SLC2A1KCNH2
SCHEMBL5434350 0.85 KCNH2 (0.51) SLC2A1KCNH2
SCHEMBL3696507 0.84 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL5435659 0.84 KCNH2 (0.46) SLC2A1KCNH2CYP8B1
SCHEMBL14357552 0.84 KCNH2 (0.53) SLC2A1KCNH2
SCHEMBL5258279 0.83 KCNH2 (0.53) SLC2A1KCNH2
SCHEMBL5315674 0.83 KCNH2 (0.53) SLC2A1KCNH2
SCHEMBL5447344 0.82 KCNH2 (0.48) SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 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-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 SLC2A1 4018/4885KCNH2 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.