SCHEMBL5536697

SCHEMBL5536697

O=[C]OCc1ncc(-c2ccccc2C(F)(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
LIMK1 P53667 1/20 0.39
PDE10A Q9Y233 1/20 0.35
PSMB8 P28062 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CTSA P10619 1/20 0.34
IDO1 P14902 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPY5R Q15761 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
SCHEMBL5543359 0.83 FEN1 (0.34) ALDH1A1NOTUMALOX5APFEN1CTSA
SCHEMBL2443591 0.78 LIMK1 (0.44) ALDH1A1HPGDLIMK1PDE10APSMB8
SCHEMBL5544714 0.77 AVPR2 (0.41) ALDH1A1HPGDLIMK1PDE10APSMB8
SCHEMBL5541402 0.76 ERCC5 (0.54) FEN1CYP3A4
SCHEMBL5534779 0.72 FFAR4 (0.36) ALDH1A1HPGDPSMB8NOTUMCYP3A4
SCHEMBL5536451 0.72 PSMB8 (0.35) ALDH1A1HPGDPDE10APSMB8NOTUM
SCHEMBL2409309 0.70 HSD11B1 (0.47) ALDH1A1HPGDLIMK1PSMB8ALOX5AP
SCHEMBL5539845 0.70 PIM1 (0.43) ALDH1A1HPGDPSMB8NOTUMMAPK1
SCHEMBL2091827 0.68 IDO1 (0.59) ALDH1A1IDO1FFAR4FFAR1
SCHEMBL2411380 0.67 MPL (0.44) LIMK1ALOX5APFEN1

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 355/4885HPGD 3159/4885LIMK1 3800/4885

“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.