SCHEMBL5547648

SCHEMBL5547648

O=COCCc1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.63
DRD2 P14416 4/20 0.63
ABCB1 P08183 7/20 0.54
MGLL Q99685 1/20 0.51
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
GAA P10253 2/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
LMNA P02545 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
FOLH1 Q04609 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL5535507 0.91 HTR1A (0.59) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL5543944 0.88 HTR1A (0.50) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL5544431 0.85 HTR1A (0.59) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL6371012 0.81 HTR1A (0.67) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL7591220 0.80 HTR1A (0.71) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL10252335 0.79 HTR1A (0.69) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL5547640 0.78 HTR1A (0.63) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL15453217 0.78 HTR1A (0.63) HTR1ADRD2ABCB1MGLLPTGER1
SCHEMBL5539274 0.78 HTR1A (0.50) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL17197391 0.78 HTR1A (0.79) HTR1ADRD2ABCB1MGLLPTGER1

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 HTR1A 4141/4885DRD2 542/4885ABCB1 2408/4885

“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.