SCHEMBL5543468

SCHEMBL5543468

O=[C]OCc1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ALKBH1 Q13686 1/20 0.36
RIPK1 Q13546 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1B1 P15121 1/20 0.35
MAOB P27338 5/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX5AP P20292 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
SCHEMBL98042 0.84 IDO1 (0.55) IDO1ALDH1A1MAOBMMP1MMP2
SCHEMBL5537730 0.78 MMP1 (0.40) IDO1ALKBH1CES2CES1ALDH1A1
SCHEMBL5140181 0.77 IDO1 (0.45) IDO1FFAR4ALKBH1RIPK1CES2
SCHEMBL5225999 0.75 CES2 (0.40) IDO1RIPK1CES2CES1BCHE
SCHEMBL2642685 0.74 IDO1 (0.42) IDO1FFAR4ALKBH1RIPK1ALDH1A1
SCHEMBL323427 0.73 FFAR4 (0.43) IDO1FFAR4ALKBH1RIPK1CES2
SCHEMBL7193516 0.73 IDO1 (0.38) IDO1FFAR4ALKBH1RIPK1CES2
SCHEMBL1937871 0.72 IDO1 (0.55) IDO1TAAR1
SCHEMBL5545399 0.72 AR (0.31) MAOB
SCHEMBL5543769 0.72 PSMB5 (0.40)

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 3181/4885FFAR4 338/4885ALKBH1 3163/4885

“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.