SCHEMBL5548007

SCHEMBL5548007

CCC1Cc2ccc([O])cc2O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
AKR1B1 P15121 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5543451 0.87 AKR1B1 (0.37) AKR1B1ALDH1A1KDM4EDRD2DRD1
SCHEMBL5536590 0.86 HRH3 (0.41) MAOAAKR1B1HRH3ALDH1A1KDM4E
SCHEMBL5546421 0.84 SIRT2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5538983 0.83 SIRT2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5542144 0.82 SIRT2 (0.42) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL5548009 0.79 MEN1 (0.46) ALDH1A1KDM4ETP53
SCHEMBL18474265 0.79 AKR1B1 (0.46) AKR1B1TP53
SCHEMBL13072472 0.79 HRH3 (0.38) MAOAAKR1B1HRH3ALDH1A1KDM4E
SCHEMBL5547658 0.77 ALDH1A1 (0.47) MAOAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2056484 0.76 HTR2A (0.39) AKR1B1HRH3

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 2885/4885AKR1B1 495/4885HRH3 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.