SCHEMBL5542419

SCHEMBL5542419

[O]c1cccc2c1OCC2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
DAO P14920 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HRH1 P35367 1/20 0.33
SLC6A3 Q01959 1/20 0.33
IDH1 O75874 1/20 0.33
CCR8 P51685 1/20 0.33
NR3C1 P04150 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL734868 0.75 PARP1 (0.53) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL29385220 0.75 PARP1 (0.53) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL13635655 0.74 PARP1 (0.52) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL30363808 0.74 PARP1 (0.52) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL29791283 0.74 PARP1 (0.52) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL293877 0.74 PARP1 (0.52) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL13651166 0.74 PARP1 (0.52) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL2007697 0.74 PARP1 (0.52) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL16127651 0.74 PARP1 (0.52) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL15074806 0.74 PARP1 (0.52) PARP1DAOSLC6A2SLC6A4KCNH2

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 PARP1 4420/4885DAO 1115/4885SLC6A2 3396/4885

“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.