SCHEMBL5537488

SCHEMBL5537488

O=[C]NCCCCCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.44
EPHX2 P34913 3/20 0.42
LTA4H P09960 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
DAO P14920 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ACACB O00763 1/20 0.37
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL5541744 0.94 EPHX2 (0.44) SLC6A5EPHX2LTA4HTRPV1DAO
SCHEMBL5545903 0.88 EPHX2 (0.49) SLC6A5EPHX2LTA4HTRPV1DAO
SCHEMBL5546752 0.82 PPARA (0.35) SLC6A5EPHX2LTA4HTRPV1DAO
SCHEMBL5537500 0.81 SLC6A5 (0.47) SLC6A5EPHX2LTA4HTRPV1DAO
SCHEMBL5546116 0.80 DAO (0.43) SLC6A5EPHX2LTA4HDAOGPR84
SCHEMBL5542711 0.80 HDAC1 (0.51) SLC6A5DAOHDAC1
SCHEMBL5540869 0.80 HDAC1 (0.51) SLC6A5DAOHDAC1
SCHEMBL4609982 0.78 DAO (0.44) SLC6A5EPHX2LTA4HDAOGPR84
SCHEMBL8196322 0.78 CALM1 (0.50)
SCHEMBL514071 0.78 EPHX2 (0.48) EPHX2TRPV1DAOALDH1A1TSHR

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 SLC6A5 4639/4885EPHX2 3662/4885LTA4H 3452/4885

“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.