SCHEMBL5538831

SCHEMBL5538831

[CH2]c1cccc(-c2ccc(OC(F)(F)F)cc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
GPR3 P46089 5/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CHRM5 P08912 3/20 0.38
SCN5A Q14524 2/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C9 P11712 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GRIN2B Q13224 1/20 0.36
SCN9A Q15858 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MARS1 P56192 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CTSC P53634 1/20 0.35
PTGES O14684 1/20 0.35
PTGS1 P23219 1/20 0.35
AKR1C2 P52895 1/20 0.35

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) DHODHGPR3THRATHRBCHRM5
SCHEMBL5538840 0.82 GPR3 (0.49) DHODHGPR3THRATHRBCHRM5
SCHEMBL2091180 0.79 XDH (0.44) DHODHFFAR1FFAR4ADORA2AADORA1
SCHEMBL5544095 0.78 SCN5A (0.48) DHODHSCN5AAKR1C2AKR1C1
SCHEMBL2094276 0.76 GPR3 (0.49) GPR3CHRM5SCN5AFFAR1CYP2C9
SCHEMBL5546653 0.75 EGFR (0.44) THRATHRBSCN9ACTSC
SCHEMBL98062 0.75 GPR3 (0.42) GPR3
SCHEMBL9293227 0.74 AHR (0.52)
SCHEMBL543035 0.72 GPR3 (0.44) DHODHGPR3CHRM5SCN5AFFAR1
SCHEMBL5545741 0.72 SCN9A (0.56) CYP2C9SCN9A

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 DHODH 301/4885GPR3 80/4885THRA 434/4885

“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.