SCHEMBL5543857

SCHEMBL5543857

[CH2]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
FDFT1 P37268 1/20 0.48
IDO1 P14902 2/20 0.47
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CETP P11597 1/20 0.46
MAPK14 Q16539 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAOB P27338 3/20 0.44
KIF11 P52732 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TEAD1 P28347 1/20 0.43

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
SCHEMBL128465 0.84 TAAR1 (0.60) IDO1ALDH1A1TAAR1MAOBKDM4E
SCHEMBL9798371 0.84 LTA4H (0.54) IDO1LTA4HALDH1A1POLBL3MBTL1
SCHEMBL13237463 0.83 IDO1 (0.51) FDFT1IDO1LTA4HPPARGPPARA
SCHEMBL11195440 0.83 PRKCA (0.50) FAAHFDFT1IDO1LTA4HPPARG
SCHEMBL920369 0.83 MAOB (0.57) FAAHFDFT1IDO1LTA4HPPARG
SCHEMBL6354530 0.83 CETP (0.48) FAAHFDFT1IDO1LTA4HPPARG
SCHEMBL14094677 0.81 FDFT1 (0.46) FAAHFDFT1IDO1LTA4HPPARG
SCHEMBL14127746 0.81 FDFT1 (0.52) FAAHFDFT1IDO1LTA4HPPARG
SCHEMBL13403379 0.81 ALDH1A1 (0.53) FAAHFDFT1IDO1LTA4HPPARG
SCHEMBL13970685 0.81 IDO1 (0.53) FAAHFDFT1IDO1LTA4HPPARG

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-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

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 FAAH 4363/4885FDFT1 852/4885IDO1 3181/4885

“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.