SCHEMBL5725733

SCHEMBL5725733

CNC(N)=O.COc1ccc2nccc([C@@H](O)CN3CCC(N)(C(=O)O)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.54
KCNH2 Q12809 2/20 0.49
SLC22A12 Q96S37 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4272996 0.95 SLC2A1 (0.56) SLC2A1KCNH2SLC22A12
SCHEMBL4273002 0.95 SLC2A1 (0.56) SLC2A1KCNH2SLC22A12
SCHEMBL4272989 0.95 SLC2A1 (0.56) SLC2A1KCNH2SLC22A12
SCHEMBL5725729 0.85 SLC2A1 (0.53) SLC2A1KCNH2KDM4E
SCHEMBL27577193 0.82 SLC2A1 (0.53) SLC2A1KCNH2KDM4E
SCHEMBL4277320 0.82 SLC2A1 (0.53) SLC2A1KCNH2KDM4E
SCHEMBL5754720 0.81 SLC2A1 (0.59) SLC2A1KCNH2KDM4E
SCHEMBL5754726 0.81 SLC2A1 (0.59) SLC2A1KCNH2KDM4E
SCHEMBL4273379 0.79 SLC2A1 (0.59) SLC2A1KCNH2KDM4E
SCHEMBL4273361 0.79 SLC2A1 (0.59) SLC2A1KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 US disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 SLC2A1 3990/4885KCNH2 1839/4885SLC22A12 3883/4885

“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.