SCHEMBL5540922

SCHEMBL5540922

[CH2]CCC(=O)Nc1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
F2R P25116 1/20 0.43
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
PTGS2 P35354 2/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5536747 0.86 L3MBTL1 (0.48) POLBGAAL3MBTL1F2RHPGD
SCHEMBL5547823 0.81 GAA (0.52) POLBGAAL3MBTL1HPGDCYP1A2
SCHEMBL2099201 0.76 L3MBTL1 (0.43) L3MBTL1HPGDKMT2AMEN1PTGS2
SCHEMBL2093273 0.75 L3MBTL1 (0.45) POLBGAAL3MBTL1HPGDKMT2A
SCHEMBL5543375 0.73 HDAC3 (0.68) POLBGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL5547412 0.73 GAA (0.54) POLBGAAL3MBTL1CYP1A2CYP3A4
SCHEMBL5543551 0.73 KCNJ11 (0.49) POLBGAAL3MBTL1CYP1A2ALDH1A1
SCHEMBL17316256 0.73 KIF11 (0.45) POLBGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL5538010 0.72 ALDH1A1 (0.47) POLBGAACYP1A2CYP3A4CYP2C19
SCHEMBL5546267 0.71 EPHX2 (0.59) POLBL3MBTL1ALDH1A1KMT2AMEN1

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 POLB 1637/4885GAA 4165/4885L3MBTL1 1931/4885

“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.