SCHEMBL5547583

SCHEMBL5547583

O=C(Cl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
SIGMAR1 Q99720 1/20 0.64
FAAH O00519 1/20 0.64
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
PRKAB2 O43741 3/20 0.60
PRKAG1 P54619 3/20 0.60
PRKAA2 P54646 3/20 0.60
PRKAA1 Q13131 3/20 0.60
PRKAG3 Q9UGI9 3/20 0.60
PRKAG2 Q9UGJ0 3/20 0.60
PRKAB1 Q9Y478 3/20 0.60
HIF1A Q16665 2/20 0.56
EPAS1 Q99814 2/20 0.56
RORC P51449 1/20 0.54
MDH1 P40925 1/20 0.54
MDH2 P40926 1/20 0.54
CHKA P35790 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
TEAD1 P28347 1/20 0.52

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
SCHEMBL27629355 0.88 SIGMAR1 (0.68) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL5537942 0.86 RORC (0.71) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL5537938 0.86 L3MBTL1 (0.65) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL1761024 0.84 FAAH (0.67) SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL5536352 0.84 L3MBTL1 (0.70) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL27282763 0.84 L3MBTL1 (0.74) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL14438076 0.84 L3MBTL1 (0.74) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL5536935 0.81 L3MBTL1 (0.67) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1
SCHEMBL5542731 0.81 ALDH1A1 (0.65) ALDH1A1HRH3TEAD1
SCHEMBL24937831 0.80 L3MBTL1 (0.58) L3MBTL1SIGMAR1FAAHKDM4EALDH1A1

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 10 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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 L3MBTL1 1931/4885SIGMAR1 234/4885FAAH 4363/4885

“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.