SCHEMBL5541860

SCHEMBL5541860

O=[C]OCCc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
MAOA P21397 8/20 0.48
MAOB P27338 8/20 0.48
KCNH2 Q12809 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL5536450 0.89 FFAR1 (0.58) FFAR1MAOAMAOBKCNH2CYP4F2
SCHEMBL5536013 0.89 CYP4F2 (0.60) FFAR1MAOAMAOBCYP4F2CYP4A11
SCHEMBL5544329 0.85 MGLL (0.49) FFAR1MAOAMAOBSIRT2
SCHEMBL5535267 0.85 FFAR1 (0.61) FFAR1MAOAMAOBNPC1RAB9A
SCHEMBL26582 0.83 CA1 (0.48) FFAR1NPC1RAB9ACA12CA1
SCHEMBL5545614 0.82 FFAR1 (0.50) FFAR1MAOAMAOBCYP4F2CYP4A11
SCHEMBL17912866 0.81 NPC1 (0.60) FFAR1MAOAMAOBNPC1RAB9A
SCHEMBL19554068 0.81 TAAR1 (0.57)
SCHEMBL5543434 0.81 FFAR1 (0.49) FFAR1MAOAMAOBCYP4F2CYP4A11
SCHEMBL5536626 0.81 CYP4F2 (0.57) FFAR1MAOAMAOBCYP4F2CYP4A11

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 FFAR1 105/4885MAOA 2885/4885MAOB 2140/4885

“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.