SCHEMBL5745692

SCHEMBL5745692

CCOC(=O)C1CNCCC1NCc1cc2c(cn1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6079826 0.85 KCNH2 (0.38) KCNH2
SCHEMBL5744419 0.85 KCNH2 (0.38) KCNH2
SCHEMBL10313868 0.74 KCNH2 (0.45) KCNH2
Hydrochloric Acid SCHEMBL4149656 0.73 KCNH2 (0.44) KCNH2
SCHEMBL11999940 0.73 KDM1A (0.45) KCNH2
SCHEMBL20794701 0.73 MAPT (0.48) KCNH2MAPTPKM
SCHEMBL25571188 0.73 PKM (0.57) KCNH2MAPTPKM
Hydrochloric Acid SCHEMBL2798369 0.72 KDM1A (0.44) KCNH2
SCHEMBL14308959 0.72 KCNH2 (0.48) KCNH2
SCHEMBL5745688 0.71 KCNH2 (0.50) 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
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885MAPT 4448/4885PKM 4523/4885

“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.