SCHEMBL5543869

SCHEMBL5543869

FC(F)(F)c1cc(O[CH]c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX1 P51575 1/20 0.37
TACR1 P25103 5/20 0.36
MAOB P27338 2/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
KIF11 P52732 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL5545196 0.78 PIM1 (0.38) MEN1NPC1RAB9AKMT2AKIF11
SCHEMBL5540895 0.73 EGFR (0.39) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL536918 0.73 TSHR (0.43) ALDH1A1TSHRMAOBNFE2L2
SCHEMBL29723532 0.72 LTA4H (0.52) IDO1TDO2ALDH1A1TSHRMEN1
SCHEMBL11802209 0.71 PPARG (0.50) ALDH1A1MAPTMAOBSLC6A2SLC6A4
SCHEMBL5546253 0.71 MAPT (0.40) IDO1MEN1MAPTKMT2A
SCHEMBL5540388 0.71 NPSR1 (0.41) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL5540271 0.71 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1998071 0.70 CES2 (0.41) IDO1ALDH1A1TSHRMAPTMAOB
SCHEMBL4179961 0.68 NFE2L2 (0.52) ALDH1A1TSHRMAPTKMT2AMAOB

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 3181/4885TDO2 1351/4885ALDH1A1 355/4885

“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.