SCHEMBL5543142

SCHEMBL5543142

O=[C]OCc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
ACHE P22303 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DAO P14920 3/20 0.37
PPARA Q07869 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
CNR1 P21554 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
RIPK1 Q13546 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPK14 Q16539 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
SCHEMBL2091499 0.83 IDO1 (0.39) PPARAGRM2GRM3KDM5AKDM5B
SCHEMBL2092207 0.83 DAO (0.41) MAOBMAOADAOGRM2GRM3
SCHEMBL5536259 0.80 PTPN7 (0.43)
SCHEMBL5546548 0.80 KIF11 (0.45) DAOCYP11B2
SCHEMBL98902 0.79 MAOB (0.41) MAOBRIPK1
SCHEMBL5537209 0.78 EPHX2 (0.44)
SCHEMBL5540435 0.78 KCNN4 (0.40)
SCHEMBL95538 0.77 IDO1 (0.52) MAOBMAOA
SCHEMBL7889545 0.76 MAOB (0.47) MAOBMAOAACHEHTTALDH1A1
SCHEMBL11313592 0.76 TTR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP claimed
JP-2002541237-A 2002-12-03 JP claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP disclosed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP disclosed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAOB 2140/4885MAOA 2885/4885ACHE 4670/4885

“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.