SCHEMBL5541595

SCHEMBL5541595

O=COC(c1ccccc1)c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.60
TDO2 P48775 3/20 0.60
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NFE2L2 Q16236 1/20 0.39
EPHX1 P07099 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL5540257 0.95 IDO1 (0.51) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL5543902 0.92 IDO1 (0.50) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL5536665 0.84 IDO1 (0.45) IDO1TDO2
SCHEMBL858 0.83 CYP2D6 (0.42) IDO1TDO2KDM4E
Hydrochloric Acid SCHEMBL10708013 0.81 HTT (0.44) IDO1TDO2KDM4E
SCHEMBL5545086 0.79 ACP3 (0.46) IDO1TDO2
Cyclopropane SCHEMBL28325005 0.77 CYP2D6 (0.38) IDO1TDO2KDM4E
SCHEMBL3884749 0.77 IDO1 (0.62) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL5542654 0.77 AOC3 (0.43) IDO1TDO2HDAC4HDAC7HDAC5
SCHEMBL11352221 0.76 UGT2B7 (0.42)

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 1351/4885HDAC4 707/4885

“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.