SCHEMBL633743

SCHEMBL633743

COc1ccc(CN2C(=O)COc3ccc(I)cc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
PIK3CG P48736 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMPD1 P17405 1/20 0.47
CMA1 P23946 1/20 0.47
POLB P06746 1/20 0.46
BRD4 O60885 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
APAF1 O14727 1/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 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
SCHEMBL15874599 0.87 L3MBTL1 (0.72) L3MBTL1PIK3CGALDH1A1SMPD1CMA1
SCHEMBL8554715 0.83 L3MBTL1 (1.00) L3MBTL1ALDH1A1SMPD1CMA1POLB
SCHEMBL18581568 0.82 L3MBTL1 (0.65) L3MBTL1PIK3CGALDH1A1POLBMAPT
SCHEMBL18581043 0.80 L3MBTL1 (0.62) L3MBTL1ALDH1A1POLBMAPTTP53
SCHEMBL6096108 0.80 L3MBTL1 (0.72) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL20373558 0.79 L3MBTL1 (0.52) L3MBTL1PIK3CGPOLBBRD4MAPT
SCHEMBL6096494 0.79 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL15176632 0.79 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL12107910 0.77 L3MBTL1 (0.61) L3MBTL1PIK3CGALDH1A1SMPD1CMA1
SCHEMBL30194042 0.77 L3MBTL1 (0.58) L3MBTL1PIK3CGALDH1A1SMPD1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
US-9029368-B2 3,7-disubstituted octahydro-2H-pyrido[4,3-E][1,3]oxazin-2-one antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-12 US disclosed
US-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2014-10-16 US disclosed
EP-2785721-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2014-10-08 EP disclosed
WO-2013080156-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-06 WO disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 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 (2 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-20140309218-A1 3,7-DISUBSTITUTED OCTAHYDRO-2H-PYRIDO[4,3-E][1,3]OXAZIN-2-ONE ANTIBIOTICS OXA1L, TOP1, OGFOD1 L3MBTL1 4037/4885PIK3CG 823/4885ALDH1A1 440/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 L3MBTL1 2851/4885PIK3CG 3562/4885ALDH1A1 2633/4885

“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.