SCHEMBL5543210

SCHEMBL5543210

[CH2]Cc1cocc1-c1ccc(Br)cc1Br

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
S100A4 P26447 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5545828 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1
SCHEMBL839544 0.75 PYCR1 (0.43) ALOX15HSP90AA1TLR9ALDH1A1MAPK1
SCHEMBL5537037 0.75 NPC1 (0.37) ALDH1A1L3MBTL1
SCHEMBL11013516 0.72 ALOX15 (0.52) ALOX15HSP90AA1TLR9S100A4ALDH1A1
Water SCHEMBL28487363 0.70 ALOX15 (0.50) ALOX15HSP90AA1TLR9S100A4ALDH1A1
SCHEMBL5249066 0.66 HSP90AA1 (0.41) ALOX15HSP90AA1TLR9S100A4ALDH1A1
SCHEMBL5536112 0.64 DPP4 (0.38) ALDH1A1MAPK1
SCHEMBL5544681 0.64 ESR1 (0.33)
SCHEMBL29380433 0.64 S100A4 (0.54) ALOX15HSP90AA1TLR9S100A4ALDH1A1
Dimethylamine SCHEMBL11280306 0.64 ALOX15 (0.44) ALOX15HSP90AA1TLR9S100A4ALDH1A1

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 ALOX15 2847/4885HSP90AA1 2426/4885TLR9 1297/4885

“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.