SCHEMBL5544451

SCHEMBL5544451

CCCNC(=O)N1CCN(CC2(C)Cn3cc([N+](=O)[O-])nc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
NAMPT P43490 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MET P08581 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL5544443 0.87 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL4441674 0.86 KCNH2 (0.51) KCNH2CACNA1CSCN5AKMT2AMEN1
SCHEMBL4442211 0.86 KCNH2 (0.51) KCNH2CACNA1CSCN5AKMT2AMEN1
SCHEMBL4441668 0.86 KCNH2 (0.51) KCNH2CACNA1CSCN5AKMT2AMEN1
SCHEMBL5542750 0.85 KCNH2 (0.49) KCNH2CACNA1CSCN5AKMT2AMEN1
SCHEMBL5542741 0.85 KCNH2 (0.49) KCNH2CACNA1CSCN5AKMT2AMEN1
SCHEMBL5539844 0.85 KCNH2 (0.51) KCNH2CACNA1CSCN5AKMT2AMEN1
SCHEMBL5536124 0.84 KCNH2 (0.45) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5536119 0.84 KCNH2 (0.45) KCNH2CACNA1CSCN5APTGS1SLC6A2
Hydrochloric Acid SCHEMBL5542048 0.84 KCNH2 (0.47) KCNH2CACNA1CSCN5AKMT2AMEN1

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 3503/4885CACNA1C 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.