SCHEMBL5539159

SCHEMBL5539159

O=[C]OCc1cc2cc(Br)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
CYP19A1 P11511 1/20 0.45
PIM1 P11309 1/20 0.44
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GPR35 Q9HC97 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 5/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
USP2 O75604 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL5547841 0.88 AGXT (0.38) CYP2A6CYP19A1PIM1CA1MAOA
SCHEMBL5540307 0.81 HDAC3 (0.43) CA12CA1CA2CA9IDO1
SCHEMBL5534528 0.81 AGXT (0.38) AGXTLMNA
SCHEMBL31473816 0.79 IDO1 (0.55) CYP2A6CYP19A1PIM1GRIN1GRIN2A
SCHEMBL5541856 0.79 AGXT (0.62) CYP2A6CYP19A1CA2AGXTPOLB
SCHEMBL14265167 0.79 IDO1 (0.55) CYP2A6CYP19A1PIM1GRIN1GRIN2A
SCHEMBL16376504 0.74 CYP19A1 (0.53) CYP2A6CYP19A1PIM1GRIN1GRIN2A
SCHEMBL7931087 0.74 CYP19A1 (0.44) CYP2A6CYP19A1PIM1GRIN1GRIN2A
SCHEMBL3623465 0.73 LOXL2 (0.58) CYP2A6CYP19A1PIM1GRIN1GRIN2A
SCHEMBL6300586 0.73 CYP19A1 (0.51) CYP2A6CYP19A1PIM1GRIN1GRIN2A

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 CYP2A6 1119/4885CYP19A1 3120/4885PIM1 3129/4885

“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.