SCHEMBL5546017

SCHEMBL5546017

Nc1cccc(CCOC=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
MAOA P21397 2/20 0.53
CYP19A1 P11511 1/20 0.52
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PARP1 P09874 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
GLS O94925 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5545779 0.81 MAOB (0.47) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL28007672 0.81
SCHEMBL27960255 0.79 HCAR2 (0.39) MAOACYP19A1CYP3A4CASP1MAPT
SCHEMBL2095679 0.79 TAAR1 (0.52) CYP3A4SMN1; SMN2
SCHEMBL323966 0.79 TAAR1 (0.52) MAOBMAOA
SCHEMBL9870117 0.79 TAAR1 (0.52) MAOBMAOA
SCHEMBL5543952 0.77 AGXT (0.47)
SCHEMBL5544633 0.77 GFER (0.52) MAOBMAOACYP19A1CYP3A4RECQL
SCHEMBL26583 0.77 CA1 (0.48) SIGMAR1CASP1CA1CA2CA9
Benzene SCHEMBL28219713 0.77 CA1 (0.48) SIGMAR1CASP1CA1CA2CA9

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 MAOB 2140/4885MAOA 2885/4885CYP19A1 3120/4885

“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.