SCHEMBL5542935

SCHEMBL5542935

O=[C]OC(c1cccc(F)c1)c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
AOC3 Q16853 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL5539811 0.83 IDO1 (0.34) IDO1TDO2AOC3ROCK2ROCK1
SCHEMBL5545191 0.83 IDO1 (0.40) IDO1TDO2
SCHEMBL5539289 0.82 IDO1 (0.38) IDO1TDO2
SCHEMBL5450128 0.82 KMT2A (0.33)
SCHEMBL5540248 0.82 IDO1 (0.51) IDO1TDO2CES2CES1HDAC4
SCHEMBL5541590 0.77 IDO1 (0.60) IDO1TDO2CES2CES1HDAC4
SCHEMBL5543891 0.76 IDO1 (0.50) IDO1TDO2CES2CES1HDAC4
SCHEMBL5537659 0.74 IDO1 (0.36) IDO1TDO2CES2CES1
SCHEMBL5536994 0.74 IDO1 (0.37) IDO1TDO2CYP19A1
SCHEMBL5541686 0.74 CHRM2 (0.31)

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.