SCHEMBL5547853

SCHEMBL5547853

O=[C]OC(c1ccc(F)cc1F)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
TDO2 P48775 1/20 0.47
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AGXT P21549 2/20 0.32
SLC6A2 P23975 2/20 0.31
MC4R P32245 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6141199 0.83 CES2 (0.41) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5547858 0.73 IDO1 (0.47) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5545227 0.71 IDO1 (0.52) IDO1TDO2ALDH1A1SLC6A2CYP2D6
SCHEMBL96066 0.71 CES2 (0.43) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5540248 0.69 IDO1 (0.51) IDO1TDO2CES2CES1
SCHEMBL5540510 0.69 IDO1 (0.41) IDO1TDO2CES2CES1SLC6A2
SCHEMBL5543891 0.68 IDO1 (0.50) IDO1TDO2CES2CES1
SCHEMBL3833105 0.68 CES2 (0.47) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5542246 0.67 IDO1 (0.41) IDO1TDO2CES2CES1
SCHEMBL18242589 0.67 CES2 (0.47) IDO1TDO2CES2CES1ALDH1A1

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 5 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
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 IDO1 3181/4885TDO2 1351/4885CES2 3025/4885

“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.