SCHEMBL5535340

SCHEMBL5535340

CC1(COc2ccc(N3CCN(Cc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
KCNH2 Q12809 5/20 0.61
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
ENPP2 Q13822 1/20 0.41
GALR3 O60755 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5541282 1.00 PTGS1 (0.61) PTGS1SLC6A2SLC6A4KCNH2DRD2
SCHEMBL5535328 1.00 PTGS1 (0.61) PTGS1SLC6A2SLC6A4KCNH2DRD2
SCHEMBL2093597 0.98 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2DRD2
SCHEMBL2093601 0.98 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2DRD2
SCHEMBL5546516 0.94 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5547591 0.94 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5542718 0.94 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5534767 0.91 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5543862 0.91 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5536515 0.91 KCNH2 (0.77) PTGS1SLC6A2SLC6A4KCNH2DRD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.