SCHEMBL5543345

SCHEMBL5543345

O=[C]NCCc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TRPV1 Q8NER1 3/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
DRD2 P14416 3/20 0.32
SLC6A3 Q01959 3/20 0.32
MPO P05164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL5542265 0.88 DRD2 (0.41) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL5538442 0.85 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL5539430 0.79 DRD2 (0.40) TRPV1HSD17B13DRD2SLC6A3MPO
SCHEMBL5543352 0.79 MTNR1A (0.36) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL5536272 0.78 DRD2 (0.33) DRD2SLC6A3
SCHEMBL7440647 0.76 MTNR1A (0.59) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL2093698 0.74 TAAR1 (0.55) DRD2SLC6A3MPO
SCHEMBL2093697 0.74 SLC6A3 (0.36) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL5544051 0.74 MEN1 (0.33) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL2091969 0.74 L3MBTL1 (0.46) DRD2SLC6A3L3MBTL1

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 MTNR1A 1560/4885MTNR1B 1562/4885CA12 1998/4885

“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.