SCHEMBL5548182

SCHEMBL5548182

CCOc1cccc(CN[C]=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 2/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
CYP2C9 P11712 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TP53 P04637 1/20 0.46
BCHE P06276 1/20 0.44
THRB P10828 1/20 0.44
FAAH O00519 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3305886 0.83 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3KDM4E
SCHEMBL27546722 0.83 BCHE (0.67) BCHETHRBKDM4EALDH1A1L3MBTL1
SCHEMBL25078064 0.80 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4CYP2D6ROCK2ROCK1
SCHEMBL5807843 0.80 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4CYP2D6ROCK2ROCK1
SCHEMBL5540203 0.80 NQO1 (0.52) SMN1; SMN2TP53HTTALDH1A1L3MBTL1
SCHEMBL5537784 0.79 HDAC4 (0.44) SMN1; SMN2ROCK2ROCK1KDM4EHDAC4
SCHEMBL3305901 0.78 ALDH1A1 (0.54) SMN1; SMN2CHRM2CHRM1CHRM3FAAH
SCHEMBL56662 0.78 CYP3A4 (0.50) SMN1; SMN2CYP3A4CYP2D6ROCK2ROCK1
SCHEMBL11623741 0.78 CYP3A4 (0.55) SMN1; SMN2CYP3A4CYP2D6ROCK2ROCK1
SCHEMBL5542774 0.78 MGLL (0.40) SMN1; SMN2TP53HDAC4MEF2DHPGD

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 SMN1; SMN2 3985/4885CYP3A4 1683/4885CYP2D6 728/4885

“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.