SCHEMBL5539042

SCHEMBL5539042

O=[C]C/C=C/c1cc(Br)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ERN1 O75460 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
BACE1 P56817 1/20 0.33
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
S100A4 P26447 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2A6 P11509 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
SCHEMBL5539043 1.00 HSP90AA1 (0.35) HSP90AA1TLR9ERN1PTGDR2CA12
SCHEMBL5544821 0.86 MAPK1 (0.35) HSP90AA1TLR9ERN1PTGDR2CA12
SCHEMBL5544818 0.86 MAPK1 (0.35) HSP90AA1TLR9ERN1PTGDR2CA12
SCHEMBL2091125 0.79 GPR183 (0.37) SMN1; SMN2
SCHEMBL2091127 0.79 GPR183 (0.37) SMN1; SMN2
SCHEMBL5539045 0.78 ERN1 (0.41) HSP90AA1TLR9ERN1PTGDR2CA12
SCHEMBL2091751 0.78 HSD11B1 (0.48) HSP90AA1POLBALDH1A1MAPT
SCHEMBL2091749 0.78 HSD11B1 (0.48) HSP90AA1POLBALDH1A1MAPT
SCHEMBL97506 0.73 GRIK1 (0.41) TLR9HPGDTDP1L3MBTL1POLB
SCHEMBL97507 0.73 GRIK1 (0.41) TLR9HPGDTDP1L3MBTL1POLB

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 HSP90AA1 2426/4885TLR9 1297/4885ERN1 912/4885

“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.