SCHEMBL1223922

SCHEMBL1223922

COc1ccc2nccc(N3CCNCC3=O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.40
CYP8B1 Q9UNU6 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ALOX5 P09917 1/20 0.34
CCR8 P51685 1/20 0.34
KCNH2 Q12809 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADRB2 P07550 1/20 0.33
SLC2A1 P11166 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
SCHEMBL1222623 0.80 NCF1 (0.57) NCF1CYP8B1CHRNB2CHRNA4ADRB2
SCHEMBL1223241 0.76 CHRNB2 (0.53) NCF1CYP8B1CHRNB2CHRNA4ADRB2
SCHEMBL1223323 0.75 CYP8B1 (0.42) NCF1CYP8B1ALOX5CCR8KCNH2
SCHEMBL5543136 0.75 HTR6 (0.39) NCF1PIK3CAALOX5
SCHEMBL2955854 0.75 KCNH2 (0.38) CYP8B1CCR8KCNH2
SCHEMBL1224706 0.73 CYP8B1 (0.44) CYP8B1PIK3CA
SCHEMBL900373 0.72 NCF1 (0.62) NCF1KCNH2ADRB2
SCHEMBL15007043 0.71 ALOX5 (0.54) ALOX5
SCHEMBL4068537 0.71 CYP8B1 (0.41) NCF1CYP8B1KCNH2
SCHEMBL3594508 0.71 CHRNB2 (0.56) CHRNB2CHRNA4

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-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 NCF1 2258/4885CYP8B1 902/4885PIK3CA 3947/4885

“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.