SCHEMBL5544924

SCHEMBL5544924

CC(CCCOc1cc[c]cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 1/20 0.40
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
SLC7A5 Q01650 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.34
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL1042394 0.77 PDE2A (0.45) ALDH1A1PDE2ASLC7A5L3MBTL1
SCHEMBL1042393 0.77 PDE2A (0.45) ALDH1A1PDE2ASLC7A5
SCHEMBL2093778 0.77 SLC7A5 (0.52) ALDH1A1PDE2ASLC7A5SCN10AMAOB
SCHEMBL2093775 0.77 PDE2A (0.45) ALDH1A1PDE2ASLC7A5SCN10A
SCHEMBL2091069 0.77 PDE2A (0.40) ALDH1A1MEN1KMT2ATDP1PDE2A
SCHEMBL2091067 0.77 PDE2A (0.40) ALDH1A1MEN1KMT2ATDP1PDE2A
SCHEMBL2095331 0.76 PDE2A (0.40) ALDH1A1MEN1KMT2ATDP1PDE2A
SCHEMBL5541829 0.76 PPARG (0.43) ALDH1A1HRH2HRH1MAOBAOC3
SCHEMBL19506428 0.76 PDE2A (0.48) ALDH1A1PDE2ASLC7A5L3MBTL1SLC2A1
SCHEMBL2093549 0.75 PDE2A (0.53) ALDH1A1PDE2ASLC7A5L3MBTL1SCN10A

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 ALDH1A1 355/4885MEN1 3295/4885KMT2A 4267/4885

“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.