SCHEMBL5541499

SCHEMBL5541499

CCCCSc1ccc([O])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
XDH P47989 1/20 0.44
CA2 P00918 2/20 0.44
SLC2A1 P11166 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
AR P10275 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 4/20 0.42
S100A4 P26447 1/20 0.39
SOAT1 P35610 1/20 0.39
PLK1 P53350 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5541977 0.94 THRB (0.50) MAOAMAOBXDHCA2SLC2A1
SCHEMBL4384628 0.92 THRB (0.53) MAOAMAOBCA2SLC2A1CA12
SCHEMBL5536227 0.92 THRB (0.53) MAOAMAOBCA2SLC2A1CA12
SCHEMBL5887468 0.89 MAOA (0.62) MAOAMAOBXDHCA2SLC2A1
SCHEMBL5539030 0.86 CA12 (0.57) MAOAMAOBCA2SLC2A1CA12
SCHEMBL10525993 0.82 SLC2A1 (0.62) MAOAMAOBXDHCA2SLC2A1
SCHEMBL424971 0.80 HPGD (0.56) MAOAMAOBSLC2A1ARHPGD
SCHEMBL21575599 0.79 THRB (0.56) MAOAMAOBCA2SLC2A1CA12
SCHEMBL21575598 0.79 THRB (0.56) MAOAMAOBCA2SLC2A1CA12
SCHEMBL11567371 0.79 THRB (0.56) MAOAMAOBCA2SLC2A1CA12

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 MAOA 2885/4885MAOB 2140/4885XDH 961/4885

“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.