SCHEMBL5542652

SCHEMBL5542652

O=C1CCc2c[c]cc(OCc3ccccc3)c2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.51
MAOA P21397 10/20 0.51
BRD4 O60885 3/20 0.51
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CREBBP Q92793 2/20 0.44
CRBN Q96SW2 2/20 0.39
IKZF3 Q9UKT9 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
BLM P54132 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
DDB1 Q16531 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
SCHEMBL18513689 0.78 BRD4 (0.58) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL5546557 0.76 BRD4 (0.46) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL26604739 0.76 MAOB (0.54) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL7211895 0.75 BRD4 (0.53) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL5546054 0.74 CYP11B1 (0.39) BRD4CYP19A1CYP11B1CYP11B2CRBN
SCHEMBL6074738 0.74 BRD4 (0.46) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL5541690 0.74 MAOB (0.54) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL12559634 0.71 BRD4 (0.51) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL9651009 0.71 BRD4 (0.44) MAOBMAOABRD4CYP19A1CYP11B1
SCHEMBL14865958 0.70 MAOB (0.63) MAOBMAOABRD4CYP19A1CYP11B1

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 9 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 claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
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 MAOB 2140/4885MAOA 2885/4885BRD4 1012/4885

“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.