SCHEMBL5547879

SCHEMBL5547879

CC(=O)Nc1ccc(CCCCOC=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
POLB P06746 1/20 0.46
SCN8A Q9UQD0 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 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
SCHEMBL5536169 0.99 THRA (0.48) AOC3THRATHRBPOLBSCN8A
SCHEMBL5542158 0.99 THRA (0.48) AOC3THRATHRBPOLBSCN8A
SCHEMBL5537421 0.95 AOC3 (0.50) AOC3THRATHRBPOLBSCN8A
SCHEMBL5537940 0.89 AOC3 (0.49) AOC3POLBSCN8ATSHRSMN1; SMN2
SCHEMBL11116153 0.84 SMN1; SMN2 (0.59) AOC3THRATHRBPOLBTSHR
SCHEMBL5536246 0.83 HDAC3 (0.57) THRATHRBPOLBSMN1; SMN2HPGD
SCHEMBL5546037 0.82 HDAC3 (0.56) THRATHRBPOLBSMN1; SMN2HPGD
SCHEMBL5540916 0.82 CYP17A1 (0.49) THRATHRBSMN1; SMN2HPGDRECQL
SCHEMBL5540955 0.82 HDAC3 (0.56) THRATHRBPOLBSMN1; SMN2HPGD
SCHEMBL5542580 0.81 CYP17A1 (0.48) THRATHRBSMN1; SMN2HPGDRECQL

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 AOC3 259/4885THRA 434/4885THRB 488/4885

“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.