SCHEMBL5548458

SCHEMBL5548458

O=COCc1ccc(OC(F)(F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.36
SCN1A P35498 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
IDO1 P14902 2/20 0.34
PPARD Q03181 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
S1PR1 P21453 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5547880 0.88 SCN3A (0.43) MRGPRX4SCN1ASCN9ASCN2ASCN3A
SCHEMBL5548454 0.80 MRGPRX4 (0.36) MRGPRX4SCN1ASCN9ASCN2ASCN3A
SCHEMBL2091678 0.77 ALDH1A1 (0.49) MRGPRX4SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL5542683 0.77 IDO1 (0.39) MRGPRX4IDO1
SCHEMBL541099 0.76 IDO1 (0.47) MRGPRX4IDO1PTGDR2
SCHEMBL5546204 0.75 PTPRZ1 (0.36) IDO1
SCHEMBL95626 0.74 IDO1 (0.57) IDO1NPC1RAB9AMAPT
SCHEMBL5541400 0.74 IDO1 (0.49) MRGPRX4IDO1S1PR1PTGDR2
SCHEMBL5545881 0.74 CHRM2 (0.43) MRGPRX4IDO1HCRTR1HCRTR2MAPT
SCHEMBL27810116 0.73 SLC6A4 (0.41) MRGPRX4IDO1

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 MRGPRX4 3620/4885SCN1A 2660/4885SCN9A 3612/4885

“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.