SCHEMBL5547858

SCHEMBL5547858

O=COC(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 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NFE2L2 Q16236 2/20 0.32
AGXT P21549 2/20 0.32
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MC4R P32245 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL5547853 0.73 IDO1 (0.47) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5545230 0.71 IDO1 (0.52) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL1128052 0.71 CES2 (0.43) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL96067 0.71 CES2 (0.43) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL3371037 0.71 CES2 (0.43) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5540257 0.69 IDO1 (0.51) IDO1TDO2CES2CES1NFE2L2
SCHEMBL5540514 0.69 IDO1 (0.41) IDO1TDO2CES2CES1SLC6A2
SCHEMBL3703093 0.68 CES2 (0.53) IDO1TDO2CES2CES1ALDH1A1
SCHEMBL5543902 0.68 IDO1 (0.50) IDO1TDO2CES2CES1NFE2L2
SCHEMBL27345646 0.68 ALDH1A1 (0.57) IDO1CES2CES1ALDH1A1AGXT

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.