SCHEMBL5728191

SCHEMBL5728191

COc1ccc2nccc([C@@H](O)CN3CCC(NC/C=C/c4ccccc4)CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
SLC2A1 P11166 8/20 0.60
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MCHR1 Q99705 1/20 0.44

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
SCHEMBL5727549 0.95 KCNH2 (0.63) KCNH2SLC2A1HTR2AHTR2B
SCHEMBL5728689 0.91 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5728548 0.91 KCNH2 (0.62) KCNH2SLC2A1
SCHEMBL5726962 0.90 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL3769333 0.89 KCNH2 (0.48) KCNH2SLC2A1HTR2AHTR2CHTR2B
SCHEMBL3769339 0.89 KCNH2 (0.48) KCNH2SLC2A1HTR2AHTR2CHTR2B
SCHEMBL5738322 0.88 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL5737940 0.88 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL3697142 0.87 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL3697147 0.87 SLC2A1 (0.47) KCNH2SLC2A1

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 KCNH2 1839/4885SLC2A1 3990/4885HTR2A 1315/4885

“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.