SCHEMBL5538840

SCHEMBL5538840

Cc1cccc(-c2ccc(OC(F)(F)F)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.49
DHODH Q02127 1/20 0.45
FFAR1 O14842 4/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CHRM5 P08912 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
FFAR4 Q5NUL3 3/20 0.39
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PDK2 Q15119 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
HSD11B1 P28845 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
SCHEMBL27926260 0.83 GPR3 (0.49) GPR3DHODHFFAR1THRATHRB
SCHEMBL5538831 0.82 DHODH (0.45) GPR3DHODHFFAR1THRATHRB
SCHEMBL5542229 0.79 PTGES2 (0.50) GPR3DHODHPIM1PIM2SCN10A
SCHEMBL5544105 0.78 SCN5A (0.48) GPR3SCN2ASCN10APDK2SCN5A
SCHEMBL16365590 0.77 CNR1 (0.46) PDK2HSD11B1
SCHEMBL11114021 0.75 L3MBTL1 (0.50) GPR3CHRM5KCNH2
SCHEMBL30072327 0.75 ACHE (0.56) GPR3CHRM5SCN10AKCNH2
SCHEMBL12245 0.75 ACHE (0.56) GPR3CHRM5SCN10AKCNH2
SCHEMBL10703217 0.74 DPP4 (0.52) THRBHSD11B1
SCHEMBL26375397 0.73 GPR3 (0.49) GPR3DHODHPIM1PIM2SCN10A

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 GPR3 80/4885DHODH 301/4885FFAR1 105/4885

“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.