SCHEMBL1223748

SCHEMBL1223748

COc1ccc2nccc(N3C[C@H]4CCN(C(=O)[C@@H]5CN(c6ccc7c(c6)OCCO7)C(=O)O5)[C@H]4C3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
CYP8B1 Q9UNU6 1/20 0.36
CLK1 P49759 1/20 0.35
SLC2A1 P11166 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL1224096 1.00 KCNH2 (0.41) KCNH2CYP8B1CLK1SLC2A1SIGMAR1
SCHEMBL1224092 1.00 KCNH2 (0.41) KCNH2CYP8B1CLK1SLC2A1SIGMAR1
SCHEMBL1224719 1.00 KCNH2 (0.41) KCNH2CYP8B1CLK1SLC2A1SIGMAR1
SCHEMBL1224172 0.86 KCNH2 (0.41) KCNH2CYP8B1CLK1PIK3CDPIK3CA
SCHEMBL1224042 0.86 KCNH2 (0.41) KCNH2CYP8B1CLK1PIK3CDPIK3CA
SCHEMBL1224038 0.86 KCNH2 (0.41) KCNH2CYP8B1CLK1PIK3CDPIK3CA
SCHEMBL1224176 0.86 KCNH2 (0.41) KCNH2CYP8B1CLK1PIK3CDPIK3CA
SCHEMBL1222660 0.85 SIGMAR1 (0.41) KCNH2SLC2A1SIGMAR1
SCHEMBL1224623 0.85 SIGMAR1 (0.41) KCNH2SLC2A1SIGMAR1
SCHEMBL1223158 0.84 KMT2A (0.43) KCNH2CYP8B1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US claimed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US claimed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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 (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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 KCNH2 912/4885CYP8B1 902/4885CLK1 4216/4885

“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.