SCHEMBL5536363

SCHEMBL5536363

[CH2]C(=O)N1CCN(C(=O)OCc2ccccc2)C(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ CA1 P00915 10/20 0.47
▸ CA2 P00918 10/20 0.47
▸ CA4 P22748 10/20 0.47
▸ CA9 Q16790 10/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL5536367 0.88 CA1 (0.57) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL21594462 0.84 PARP1 (0.63) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL5413537 0.81 PARP1 (0.68) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL780685 0.81 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL16636968 0.80 SMN1; SMN2 (0.53) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL18150033 0.80 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL16636970 0.79 PDK1 (0.53) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL14105902 0.79 PDK1 (0.53) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL5548117 0.79 MEN1 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14105272 0.78 OPRK1 (0.52) PDK1PDK2PDK3PDK4PSEN1

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 PDK1 1670/4885PDK2 460/4885PDK3 363/4885

“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.

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