SCHEMBL5544303

SCHEMBL5544303

[CH2]/C=C/Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MAPT P10636 6/20 0.50
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPAS1 Q99814 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KIF11 P52732 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL5544305 1.00 GAA (0.61) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL5538997 0.82 GAA (0.54) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL17082468 0.78 GAA (0.54) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL12613959 0.78 MAPT (0.56) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL324160 0.78 GAA (0.58) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL5543119 0.76 TGM2 (0.46) GAAMAPTEPHX2ALDH1A1SMN1; SMN2
SCHEMBL5543113 0.76 TGM2 (0.46) GAAMAPTEPHX2ALDH1A1SMN1; SMN2
SCHEMBL2095354 0.75 MAPT (0.57) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL11405058 0.75 MAPT (0.62) GAAMAPTEPHX2ALDH1A1KMT2A
SCHEMBL1923201 0.74 MAPT (0.61) GAAMAPTEPHX2ALDH1A1KMT2A

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 GAA 4165/4885MAPT 4117/4885EPHX2 3662/4885

“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.