SCHEMBL5263867

SCHEMBL5263867

O=C(NCCCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2n1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.56

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
SCHEMBL14498816 0.86 KCNH2 (0.63) KCNH2
SCHEMBL5635997 0.82 KCNH2 (0.40) KCNH2
SCHEMBL14498785 0.82 KCNH2 (0.79) KCNH2
SCHEMBL5634581 0.80 KCNH2 (0.41) KCNH2
SCHEMBL5315858 0.77 KCNH2 (0.62) KCNH2
SCHEMBL14341453 0.74 KCNH2 (0.77) KCNH2
SCHEMBL6685447 0.74 KCNH2 (0.69) KCNH2
SCHEMBL14341427 0.74 KCNH2 (0.69) KCNH2
SCHEMBL5260199 0.73 KCNH2 (0.76) KCNH2
SCHEMBL4511787 0.72 KCNH2 (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (2 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 KCNH2 3311/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KCNH2 2699/4885

“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.