SCHEMBL5543980

SCHEMBL5543980

O=[C]OCC=Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SLC6A19 Q695T7 1/20 0.46
PKM P14618 1/20 0.43
BACE1 P56817 1/20 0.42
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
CYP2D6 P10635 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HSD11B1 P28845 1/20 0.38
CACNA1B Q00975 1/20 0.38
CHRNA7 P36544 1/20 0.37
PLAAT5 Q96KN8 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5543977 1.00 HSD17B3 (0.47) HSD17B3ALDH1A1SLC6A19PKMBACE1
SCHEMBL5704324 0.81 HSD17B3 (0.50) HSD17B3ALDH1A1SLC6A19PKMBACE1
SCHEMBL5546282 0.81 NFE2L2 (0.53) PKMCYP2D6
SCHEMBL5536692 0.81 CYP1A2 (0.47) MAOBMAOACYP2D6CYP1B1
SCHEMBL5546280 0.81 NFE2L2 (0.53) PKMCYP2D6
SCHEMBL5536691 0.81 CYP1A2 (0.47) MAOBMAOACYP2D6CYP1B1
SCHEMBL5545876 0.81 RELA (0.45) MAOBMAOACACNA1B
SCHEMBL5545874 0.81 RELA (0.45) MAOBMAOACACNA1B
SCHEMBL5547894 0.80 GRIK1 (0.39) ALDH1A1MAOBMAOACHRNA7NPSR1
SCHEMBL5547901 0.80 GRIK1 (0.39) ALDH1A1MAOBMAOACHRNA7NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 HSD17B3 111/4885ALDH1A1 355/4885SLC6A19 2125/4885

“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.