SCHEMBL5543417

SCHEMBL5543417

CN(C)c1ccc(-c2ccc(CN3CCN(CC4(C)Cn5cc([N+](=O)[O-])nc5O4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CCR2 P41597 2/20 0.35
MAPT P10636 2/20 0.35
ABCC1 P33527 1/20 0.35
MAPK1 P28482 1/20 0.35
APP P05067 1/20 0.34
CHKA P35790 1/20 0.34
LMNA P02545 1/20 0.34
KCNJ1 P48048 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 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
SCHEMBL5535434 0.90 KCNH2 (0.56) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535437 0.90 KCNH2 (0.56) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5543964 0.90 KCNH2 (0.56) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544032 0.89 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537837 0.87 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537830 0.87 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5541376 0.87 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5539828 0.84 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5543362 0.84 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5539838 0.84 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2

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 4 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 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 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.