SCHEMBL5542436

SCHEMBL5542436

C[C@]1(COc2ccc(N3CCSCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.68
PTGS1 P23219 1/20 0.68
SLC6A2 P23975 1/20 0.68
SLC6A4 P31645 1/20 0.68
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ENPP2 Q13822 2/20 0.33
LMNA P02545 2/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5542442 1.00 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542718 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5546516 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14562855 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5547591 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3466816 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL2094108 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL2094105 0.89 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5537619 0.88 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5537613 0.88 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.