SCHEMBL5544859

SCHEMBL5544859

CC(O[C]=O)c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
CNR1 P21554 5/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 2/20 0.39
ADRA2B P18089 1/20 0.39
S1PR1 P21453 1/20 0.39
CNR2 P34972 2/20 0.38
CREBBP Q92793 1/20 0.38
FFAR1 O14842 1/20 0.38
ADRA1B P35368 1/20 0.38
GSK3B P49841 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
MAOB P27338 1/20 0.38
MGLL Q99685 1/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL19729074 0.81 GLA (0.41) GLACNR1ADRA1DADRA1AADRA2B
SCHEMBL5538506 0.79 CYP2A6 (0.40) GSK3B
SCHEMBL22824024 0.77 FFAR1 (0.46) GLACNR1S1PR1CNR2FFAR1
SCHEMBL104898 0.76 GLA (0.46) GLACNR1ADRA1DADRA1AADRA2B
SCHEMBL5539721 0.76 AOC3 (0.43) ADRA1D
SCHEMBL7359740 0.76 CPN1 (0.39) ADRA1A
SCHEMBL5542650 0.76 CES2 (0.44)
SCHEMBL7749051 0.75 AOC3 (0.45)
SCHEMBL8233976 0.74 S1PR1 (0.42) GLACNR1S1PR1CNR2FFAR1
SCHEMBL96935 0.74 HCAR2 (0.43) ADRA2BFFAR1

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 GLA 3631/4885CNR1 857/4885ADRA1D 320/4885

“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.