SCHEMBL5539274

SCHEMBL5539274

O=COCc1ccccc1OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
DRD2 P14416 3/20 0.50
ABCB1 P08183 4/20 0.48
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5547263 0.92 HTR1A (0.49) HTR1ADRD2ABCB1HPGDSMN1; SMN2
SCHEMBL5540947 0.91 HTR1A (0.47) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL5543944 0.88 HTR1A (0.50) HTR1ADRD2ABCB1HPGDSMN1; SMN2
SCHEMBL5544431 0.85 HTR1A (0.59) HTR1ADRD2ABCB1HPGDSMN1; SMN2
SCHEMBL5539269 0.78 HTR1A (0.50) HTR1ADRD2ABCB1HPGDSMN1; SMN2
SCHEMBL5547648 0.78 HTR1A (0.63) HTR1ADRD2ABCB1HPGDCCNB2
SCHEMBL16920291 0.77 DRD1 (0.45) HTR1ADRD2ABCB1HPGDSMN1; SMN2
SCHEMBL5541028 0.76 FFAR1 (0.58) HPGD
SCHEMBL5535507 0.76 HTR1A (0.59) HTR1ADRD2ABCB1CCNB2CDK1
Benzene SCHEMBL28219713 0.75 CA1 (0.48) HPGDSMN1; SMN2

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.