SCHEMBL5541950

SCHEMBL5541950

FC(F)(F)c1cccc(CCCOc2cc[c]cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
MAOB P27338 6/20 0.49
IDO1 P14902 2/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NR4A2 P43354 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MIF P14174 1/20 0.43
SCN8A Q9UQD0 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
NR3C2 P08235 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
SCHEMBL5543624 0.96 TAAR1 (0.49) TAAR1MAOBIDO1FFAR1FFAR4
SCHEMBL5544004 0.94 TAAR1 (0.48) TAAR1MAOBIDO1FFAR1FFAR4
SCHEMBL5543228 0.93 TAAR1 (0.51) TAAR1MAOBIDO1FFAR1FFAR4
SCHEMBL3321627 0.84 MAOB (0.68) MAOBIDO1FFAR1FFAR4NR4A2
SCHEMBL5541812 0.82 MAOB (0.48) TAAR1MAOBHDAC1HDAC8
SCHEMBL5543284 0.82 CHRM2 (0.46) MAOBFFAR1
SCHEMBL5546152 0.81 TAAR1 (0.46) TAAR1MAOBIDO1NR4A2
SCHEMBL5537763 0.78 MAOB (0.47) TAAR1MAOBFFAR1HDAC1HDAC8
SCHEMBL12047382 0.77 TAAR1 (0.57) TAAR1MAOBIDO1HDAC1HDAC8
SCHEMBL5538844 0.77 TAAR1 (0.50) TAAR1IDO1FFAR1FFAR4HDAC1

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 364/4885MAOB 2140/4885IDO1 3181/4885

“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.