SCHEMBL5537434

SCHEMBL5537434

O=[C]OCc1cc(OC(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.38
GPR3 P46089 1/20 0.37
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 2/20 0.35
MGLL Q99685 1/20 0.35
CES1 P23141 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
RORC P51449 1/20 0.33
TACR1 P25103 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL2091848 0.80 MRGPRX4 (0.43) MRGPRX4GPR3CES1
SCHEMBL2090202 0.79 HDAC3 (0.40) SLC6A4SLC6A2SLC6A3HCRTR1HCRTR2
SCHEMBL5537438 0.78 MAOB (0.37) MRGPRX4GPR3KIF11KDM4ECRHBP
SCHEMBL5547649 0.76 MRGPRX4 (0.30) MRGPRX4
SCHEMBL16952941 0.75 GPR3 (0.42) MRGPRX4GPR3KIF11KMT2ASLC6A4
SCHEMBL514457 0.75 GPR84 (0.42) MRGPRX4SLC6A4GPR84
SCHEMBL5536093 0.75 MTNR1A (0.38) GPR3KDM4ECRHBPCRHR2GAA
SCHEMBL2095986 0.73 CHRM2 (0.48) MRGPRX4SLC6A4TACR1
SCHEMBL2091592 0.72 IDO1 (0.62) KMT2A
SCHEMBL5537209 0.72 EPHX2 (0.44) HCRTR1HCRTR2CTSKNAAA

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 MRGPRX4 3620/4885GPR3 80/4885KIF11 3946/4885

“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.