SCHEMBL5539477

SCHEMBL5539477

[O]c1cccc2c1OC(=O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
CYP1A2 P05177 1/20 0.34
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPN P05981 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31
KMT2A Q03164 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
SCHEMBL6507814 0.85 MAOA (0.41) AKR1B1CYP1A2MAOAMAOBMEN1
SCHEMBL5539483 0.78 MEN1 (0.47) AKR1B1CYP1A2MAOAMAOBCA12
SCHEMBL3520803 0.78 AKR1B1 (0.44) AKR1B1CYP1A2MAOAMAOBCA12
SCHEMBL32672943 0.78 AKR1B1 (0.44) AKR1B1CYP1A2MAOAMAOBCA12
SCHEMBL13495858 0.78 AKR1B1 (0.44) AKR1B1CYP1A2CA12CA9MEN1
SCHEMBL9185283 0.76 MAOA (0.59) AKR1B1CYP1A2MAOAMAOBCYP3A4
SCHEMBL23940770 0.73 AKR1B1 (0.51) AKR1B1MAOAMAOB
SCHEMBL2807475 0.73 AKR1B1 (0.41) AKR1B1MAOAMAOBALDH1A1MAPT
SCHEMBL4140771 0.73 CA12 (0.54) AKR1B1CA12CA9MEN1ALDH1A1
SCHEMBL6830309 0.73 AKR1B1 (0.41) AKR1B1CYP1A2CA12CA9ALDH1A1

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 AKR1B1 495/4885CYP1A2 659/4885MAOA 2885/4885

“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.