SCHEMBL5543492

SCHEMBL5543492

[CH2]c1ccccc1Oc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.50
HSPB1 P04792 3/20 0.45
EPAS1 Q99814 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL5540400 0.84 MAPK1 (0.42) TRPA1HSPB1EPAS1ALDH1A1HTT
SCHEMBL5541162 0.84 HTR1A (0.46) HSPB1ALDH1A1L3MBTL1SLC6A2SLC6A4
SCHEMBL10456772 0.83 TRPA1 (0.56) TRPA1HSPB1EPAS1ALDH1A1
SCHEMBL2093908 0.81 HSPB1 (0.38) TRPA1HSPB1ALDH1A1L3MBTL1SLC6A2
SCHEMBL7634253 0.78 CA1 (0.38) ALDH1A1HTTL3MBTL1
SCHEMBL25187432 0.77 EPAS1 (0.55) TRPA1HSPB1EPAS1ALDH1A1HTT
SCHEMBL1338646 0.77 KDM4E (0.55) TRPA1HSPB1ALDH1A1SLC6A2SLC6A4
SCHEMBL30159449 0.77 TRPA1 (0.53) TRPA1HSPB1EPAS1ALDH1A1HTT
SCHEMBL5536030 0.74 CYP1A2 (0.40) EPAS1ALDH1A1HTTL3MBTL1SLC6A2
SCHEMBL8124736 0.74 TRPA1 (0.63) TRPA1HSPB1ALDH1A1HTT

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 TRPA1 3038/4885HSPB1 1523/4885EPAS1 4415/4885

“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.