SCHEMBL5544085

SCHEMBL5544085

CCCCc1ccc(CN[C]=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.44
POLB P06746 1/20 0.44
RARB P10826 1/20 0.43
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 4/20 0.43
S1PR2 O95136 3/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LPAR2 Q9HBW0 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL6715388 0.94 S1PR1 (0.49) ALDH1A1HSD17B10CA2S1PR1S1PR3
SCHEMBL5535542 0.80 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2S1PR1S1PR3S1PR2
SCHEMBL4633460 0.79 LMNA (0.47) PLK1HPGDALDH1A1HSD17B10CA2
SCHEMBL5546165 0.77 HPGD (0.51) PLK1HPGDALDH1A1HSD17B10CA2
SCHEMBL83869 0.76 CA2 (0.65) PLK1HPGDALDH1A1HSD17B10CA2
SCHEMBL12954598 0.75 PLK1 (0.53) PLK1HPGDALDH1A1HSD17B10CA2
SCHEMBL515532 0.75 SMN1; SMN2 (0.46) HPGDALDH1A1HSD17B10CA2SMN1; SMN2
SCHEMBL2121182 0.74 HSD17B10 (0.52) PLK1HPGDALDH1A1HSD17B10CA2
SCHEMBL11620025 0.74 CA2 (0.55) PLK1HPGDALDH1A1HSD17B10CA2
SCHEMBL14036446 0.74 HRH4 (0.52) PLK1HPGDALDH1A1HSD17B10CA2

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 PLK1 4462/4885HPGD 3159/4885ALDH1A1 355/4885

“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.