SCHEMBL5536451

SCHEMBL5536451

O=[C]OCc1ncsc1-c1ccccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.35
NOTUM Q6P988 1/20 0.35
PDE10A Q9Y233 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPY5R Q15761 1/20 0.33
FFAR1 O14842 1/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMO O15229 2/20 0.33
HSD11B1 P28845 2/20 0.33
C1R P00736 1/20 0.33
SCN9A Q15858 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
TSHR P16473 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 0.32
GBA1 P04062 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL5539077 0.83 MAPK14 (0.35) NOTUMALDH1A1
SCHEMBL5534779 0.80 FFAR4 (0.36) PSMB8NOTUMFFAR4DPP4ALDH1A1
SCHEMBL5536686 0.79 KDM4E (0.45)
SCHEMBL5539845 0.73 PIM1 (0.43) PSMB8NOTUMALDH1A1HSD11B1C1R
SCHEMBL5536697 0.72 ALDH1A1 (0.41) PSMB8NOTUMPDE10AFFAR4NPY5R
SCHEMBL5544714 0.72 AVPR2 (0.41) PSMB8NOTUMPDE10AFFAR4NPY5R
SCHEMBL2091827 0.68 IDO1 (0.59) FFAR4FFAR1ALDH1A1
SCHEMBL5539682 0.65 GABRA1 (0.33)
SCHEMBL5544619 0.64 MAPK14 (0.38) NOTUMFFAR1DPP4ALDH1A1
SCHEMBL5541839 0.62 KDM4E (0.30) ALDH1A1CYP1A2CYP2D6CYP2C19

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 PSMB8 2916/4885NOTUM 3827/4885PDE10A 4674/4885

“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.