SCHEMBL5539587

SCHEMBL5539587

O=[C]OCc1ccccc1C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
MAOB P27338 4/20 0.36
MAOA P21397 1/20 0.36
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
TACR1 P25103 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL2091827 0.86 IDO1 (0.59) IDO1MAOBMAOATACR1FFAR1
SCHEMBL6817876 0.79 IDO1 (0.38) IDO1MAOBMAOARXRARXRB
SCHEMBL5539592 0.76 IDO1 (0.43) IDO1MAOBMAOARXRARXRB
SCHEMBL5537018 0.75 IDO1 (0.42) IDO1MAOBMAOARXRARXRB
SCHEMBL18242814 0.74 IDO1 (0.38) IDO1MAOBMAOA
SCHEMBL5545710 0.73 IDO1 (0.32) IDO1RXRARXRBRXRG
SCHEMBL5534579 0.72 EPHX2 (0.38) IDO1
SCHEMBL2090202 0.72 HDAC3 (0.40) RXRARXRBRXRGFFAR1
SCHEMBL98042 0.72 IDO1 (0.55) IDO1MAOB
SCHEMBL5542283 0.71 FFAR4 (0.52) IDO1FFAR1FFAR4

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 IDO1 3181/4885MAOB 2140/4885MAOA 2885/4885

“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.