SCHEMBL5726323

SCHEMBL5726323

COc1ccc2nccc([C@@H](O)CN3CCC(NCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.55
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
CALCRL Q16602 1/20 0.41

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
SCHEMBL5726336 1.00 SLC2A1 (0.55) SLC2A1KCNH2ALDH1A1CYP2D6CYP2C9
SCHEMBL5726331 1.00 SLC2A1 (0.55) SLC2A1KCNH2ALDH1A1CYP2D6CYP2C9
SCHEMBL5739137 0.89 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5739124 0.89 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5739145 0.89 SLC2A1 (0.62) SLC2A1KCNH2
SCHEMBL5726549 0.88 SLC2A1 (0.59) SLC2A1KCNH2ALDH1A1
SCHEMBL5726926 0.88 SLC2A1 (0.58) SLC2A1KCNH2ALDH1A1LMNA
SCHEMBL5726167 0.88 SLC2A1 (0.57) SLC2A1KCNH2
SCHEMBL5726932 0.88 SLC2A1 (0.58) SLC2A1KCNH2ALDH1A1LMNA
SCHEMBL5726937 0.88 SLC2A1 (0.58) SLC2A1KCNH2ALDH1A1LMNA

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 3 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

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 1839/4885ALDH1A1 2974/4885

“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.