SCHEMBL5543451

SCHEMBL5543451

CCCC1Cc2ccc([O])cc2O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
KDM4E B2RXH2 2/20 0.34
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
FYN P06241 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5546421 0.91 SIRT2 (0.38) SIRT2DRD2DRD1DRD4DRD5
SCHEMBL5538983 0.89 SIRT2 (0.43) SIRT2DRD2DRD1DRD4DRD5
SCHEMBL5542144 0.88 SIRT2 (0.42) SIRT2DRD2DRD1DRD4DRD5
SCHEMBL5541999 0.87 HRH3 (0.40) AKR1B1SIRT2KDM4EFYN
SCHEMBL5548007 0.87 MAOA (0.35) AKR1B1KDM4EDRD2DRD1DRD4
SCHEMBL5543458 0.81 SHBG (0.44) KDM4EDRD2DRD1DRD4DRD5
SCHEMBL5548099 0.78 SIRT2 (0.40) SIRT2
SCHEMBL5536723 0.77 SIRT2 (0.45) SIRT2
SCHEMBL13638405 0.76 HRH3 (0.47) DRD2DRD3
SCHEMBL5537744 0.76 SIRT2 (0.44) SIRT2ALDH1A1

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 AKR1B1 495/4885SIRT2 309/4885KDM4E 4854/4885

“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.