SCHEMBL5544818

SCHEMBL5544818

O=[C]C/C=C/c1ccc(Br)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.33
MTOR P42345 1/20 0.33
ALOX15 P16050 1/20 0.32
ERN1 O75460 1/20 0.32
TSHR P16473 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CYP2A6 P11509 1/20 0.31
APP P05067 4/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL5544821 1.00 MAPK1 (0.35) MAPK1HSP90AA1TLR9ALDH1A1TDP1
SCHEMBL5539043 0.86 HSP90AA1 (0.35) MAPK1HSP90AA1TLR9ALDH1A1TDP1
SCHEMBL5539042 0.86 HSP90AA1 (0.35) MAPK1HSP90AA1TLR9ALDH1A1TDP1
SCHEMBL2091125 0.83 GPR183 (0.37)
SCHEMBL2091127 0.83 GPR183 (0.37)
SCHEMBL2091751 0.78 HSD11B1 (0.48) HSP90AA1ALDH1A1NPC1
SCHEMBL2091749 0.78 HSD11B1 (0.48) HSP90AA1ALDH1A1NPC1
SCHEMBL5544825 0.78 HSP90AA1 (0.38) MAPK1HSP90AA1TLR9ALDH1A1TDP1
SCHEMBL27996159 0.76 HSP90AA1 (0.39) MAPK1HSP90AA1TLR9ALDH1A1TDP1
SCHEMBL97506 0.73 GRIK1 (0.41) MAPK1TLR9ALDH1A1TDP1L3MBTL1

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 MAPK1 1392/4885HSP90AA1 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.