SCHEMBL5541102

SCHEMBL5541102

Cc1c([O])ccc2c1CCO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTNR1B P49286 7/20 0.34
MTNR1A P48039 6/20 0.34
KIF11 P52732 1/20 0.34
CDK1 P06493 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ABCB11 O95342 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL11996624 0.79 MAOA (0.41) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL10158640 0.77 MTNR1B (0.39) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL10158533 0.76 HTR2C (0.35) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL2056488 0.76 EED (0.38) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL5506295 0.76 MAOA (0.46) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL5546114 0.76 MAOA (0.42) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL8427670 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL15084394 0.73 HTR2C (0.37) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL5538999 0.72 PARP1 (0.41) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL5543467 0.71 ITGB2 (0.42) HTTMTNR1BMTNR1AKIF11

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 2140/4885HTR2A 4120/4885

“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.