SCHEMBL5548100

SCHEMBL5548100

CCCCC1Cc2cc(O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DRD3 P35462 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DPP4 P27487 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
GRM2 Q14416 2/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39

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
SCHEMBL5536727 0.95 GRM2 (0.44) SHBGHRH4HRH3DRD3DRD2
SCHEMBL5537748 0.94 GRM2 (0.46) SHBGHRH4HRH3DRD3DRD2
SCHEMBL5542006 0.91 SHBG (0.48) SHBGHRH4HRH3DRD3DRD2
SCHEMBL5546425 0.88 DRD2 (0.48) DRD3DRD2DRD1DRD4DRD5
SCHEMBL27355921 0.85 ESR1 (0.51) DRD3DRD2DRD1DRD4DRD5
SCHEMBL5536594 0.84 MEN1 (0.50) HRH4HRH3DRD3DPP4ESR1
SCHEMBL5538985 0.84 DRD2 (0.50) DRD3DRD2DRD1DRD4DRD5
SCHEMBL5542150 0.82 DRD2 (0.52) DRD3DRD2DRD1DRD4DRD5
SCHEMBL5548099 0.82 SIRT2 (0.40) HRH4HRH3GRM2CYP1A2
SCHEMBL20958651 0.82 AKR1B1 (0.41) HRH4HRH3DRD3DRD2GRM2

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 7 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
CN-1054128-C 4-alkoxy-2,6-ditert-butyphynol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-07-05 CN disclosed
CN-1112115-A 4-alkoxy-2, 6-di-tert-butylphenol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1995-11-22 CN 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 SHBG 3836/4885HRH4 426/4885HRH3 420/4885

“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.