SCHEMBL5546732

SCHEMBL5546732

O=[C]OCC=Cc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
LY96 Q9Y6Y9 1/20 0.39
BCHE P06276 1/20 0.36
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR3 P22607 1/20 0.33
IKBKB O14920 1/20 0.33
DYRK2 Q92630 1/20 0.33
CHRNA7 P36544 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
RELA Q04206 1/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
IDO1 P14902 2/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL5546727 1.00 HSD11B1 (0.44) HSD11B1LY96BCHEPDGFRBFGFR1
SCHEMBL5704312 0.80 HSD11B1 (0.47) HSD11B1LY96BCHEPDGFRBFGFR1
SCHEMBL431986 0.80 HSD11B1 (0.47) HSD11B1LY96BCHEPDGFRBFGFR1
SCHEMBL6514163 0.79 ALDH1A1 (0.35) KMT2AMEN1IDO1
SCHEMBL5539226 0.79 ALDH1A1 (0.42) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL5542254 0.79 NFE2L2 (0.41) KMT2AATMRELAMEN1NPC1
SCHEMBL5542249 0.79 NFE2L2 (0.41) KMT2AATMRELAMEN1NPC1
SCHEMBL5544881 0.79 NFE2L2 (0.50) RELA
SCHEMBL5544880 0.79 NFE2L2 (0.50) RELA
SCHEMBL5539223 0.79 ALDH1A1 (0.42) POLBKMT2AMEN1NPC1RAB9A

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 HSD11B1 256/4885LY96 1510/4885BCHE 4833/4885

“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.