SCHEMBL5547412

SCHEMBL5547412

[CH2]CCC(=O)Nc1ccccc1C(F)(F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5546374 0.88 POLB (0.50) GAAPOLBKMT2AMEN1CYP1A2
SCHEMBL5540154 0.79 POLB (0.43) GAAPOLBKMT2AMEN1ALDH1A1
SCHEMBL2090450 0.78 CYP1A2 (0.39) GAAPOLBKMT2AMEN1CYP1A2
SCHEMBL2097517 0.78 POLB (0.40) GAAPOLBKMT2AMEN1ALDH1A1
SCHEMBL5547823 0.78 GAA (0.52) GAAPOLBKMT2AMEN1CYP1A2
SCHEMBL2095028 0.77 POLB (0.47) GAAPOLBKMT2AMEN1ALDH1A1
SCHEMBL2095027 0.77 POLB (0.44) GAAPOLBKMT2AMEN1ALDH1A1
SCHEMBL5540157 0.76 ALDH1A1 (0.52) POLBKMT2AMEN1CYP1A2CYP2C19
SCHEMBL1066371 0.76 SMN1; SMN2 (0.68) GAAPOLBCYP2C19CYP2C9ALDH1A1
SCHEMBL2094836 0.75 POLB (0.43) GAAPOLBKMT2AMEN1ALDH1A1

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 4165/4885POLB 1637/4885KMT2A 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.