SCHEMBL5547841

SCHEMBL5547841

O=[C]OCc1cc2ccc(Br)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.38
MAOB P27338 3/20 0.38
HDAC6 Q9UBN7 2/20 0.37
MAOA P21397 1/20 0.37
MIF P14174 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
APP P05067 1/20 0.33
CYP19A1 P11511 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP2A6 P11509 1/20 0.32
IDO1 P14902 1/20 0.32
CA1 P00915 1/20 0.32
PIM1 P11309 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL5539159 0.88 CYP2A6 (0.45) AGXTMAOAKMT2ACYP19A1CYP2A6
SCHEMBL5540597 0.81 AGXT (0.38) AGXTMAOBHDAC6MAOAMIF
SCHEMBL5539104 0.81 AGXT (0.38) AGXTHDAC6MIFAPPLOXL2
SCHEMBL5541856 0.79 AGXT (0.62) AGXTCYP19A1CYP2A6LOXL2
SCHEMBL5031430 0.76 MAOB (0.41) AGXTMAOBHDAC6MAOAMIF
SCHEMBL11712601 0.74 MAOB (0.41) AGXTMAOBHDAC6MAOAMIF
SCHEMBL17821417 0.73 HDAC6 (0.58) MAOBHDAC6MIFMEN1KMT2A
SCHEMBL28244690 0.73 MAOB (0.40) AGXTMAOBHDAC6MAOAMIF
SCHEMBL27890920 0.73 APP (0.41) AGXTMAOBHDAC6MIFMEN1
SCHEMBL16795611 0.72 CYP2A6 (0.41) MAOBHDAC6MAOAMIFMEN1

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 AGXT 2967/4885MAOB 2140/4885HDAC6 941/4885

“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.