SCHEMBL5540313

SCHEMBL5540313

[CH2]CCCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
LTA4H P09960 2/20 0.47
EPHX2 P34913 1/20 0.47
MAOB P27338 5/20 0.46
MAPK14 Q16539 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CACNA1B Q00975 1/20 0.42
IDO1 P14902 2/20 0.42
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5545036 0.95 LTA4H (0.46) TAAR1LTA4HEPHX2MAOBMAPK14
SCHEMBL5538927 0.93 LTA4H (0.45) TAAR1LTA4HEPHX2MAOBMAPK14
SCHEMBL5544769 0.89 TAAR1 (0.50) TAAR1LTA4HEPHX2MAOBMAPK14
SCHEMBL1119524 0.89 TAAR1 (0.57) TAAR1MAOBHDAC1HDAC8IDO1
SCHEMBL1046291 0.83 TAAR1 (0.55) TAAR1MAOBHDAC1HDAC8IDO1
SCHEMBL5535120 0.83 EPHX2 (0.47) LTA4HEPHX2
SCHEMBL5534895 0.82 MAPK14 (0.48) TAAR1LTA4HEPHX2MAOBMAPK14
SCHEMBL1047874 0.82 TAAR1 (0.53) TAAR1MAOBHDAC1HDAC8IDO1
SCHEMBL8875225 0.79 LTA4H (0.52) TAAR1LTA4HEPHX2MAOBMAPK14
SCHEMBL2872345 0.79 TAAR1 (0.78) TAAR1LTA4HEPHX2MAOBIDO1

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 TAAR1 364/4885LTA4H 3452/4885EPHX2 3662/4885

“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.