SCHEMBL5546229

SCHEMBL5546229

CCCNCCCCOC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
ADH1B P00325 3/20 0.41
ADH1A P07327 3/20 0.41
ADH7 P40394 3/20 0.41
ADH1C P00326 2/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
EPHX1 P07099 1/20 0.37
ADH4 P08319 1/20 0.37
KDM1A O60341 2/20 0.35
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6198021 0.91 TSHR (0.50) PAOXALDH1A1TSHRADH1BADH1A
SCHEMBL6201052 0.89 TSHR (0.54) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL5540852 0.89 TSHR (0.54) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL5540551 0.89 TSHR (0.54) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL6199529 0.89 TSHR (0.54) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL1960121 0.84 TSHR (0.46) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL6196103 0.84
SCHEMBL10600362 0.83 TSHR (0.56) PAOXALDH1A1TSHRADH1BADH1A
SCHEMBL1961911 0.80 TSHR (0.46) ALDH1A1TSHRADH1BADH1AADH7
SCHEMBL28169 0.79

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 PAOX 1099/4885ALDH1A1 355/4885TSHR 319/4885

“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.