SCHEMBL5538869

SCHEMBL5538869

CC1(CCN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48
CCR2 P41597 1/20 0.41
CHKA P35790 1/20 0.41
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 3/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5540064 0.95 KCNH2 (0.47) KCNH2CACNA1CSCN5ACCR2CHKA
SCHEMBL5535434 0.91 KCNH2 (0.56) KCNH2CACNA1CSCN5ACCR2CHKA
SCHEMBL5543964 0.91 KCNH2 (0.56) KCNH2CACNA1CSCN5ACCR2CHKA
SCHEMBL5535437 0.91 KCNH2 (0.56) KCNH2CACNA1CSCN5ACCR2CHKA
SCHEMBL5544032 0.90 KCNH2 (0.55) KCNH2CACNA1CSCN5ACCR2CHKA
SCHEMBL5544203 0.86 KCNH2 (0.51) KCNH2CACNA1CSCN5ACHKAPTGS1
SCHEMBL5542623 0.81 KCNH2 (0.50) KCNH2CACNA1CSCN5ACHKAPTGS1
SCHEMBL5543417 0.81 KCNH2 (0.53) KCNH2CACNA1CSCN5ACCR2CHKA
SCHEMBL5537837 0.80 KCNH2 (0.55) KCNH2CACNA1CSCN5ACHKAPTGS1
SCHEMBL5537830 0.80 KCNH2 (0.55) KCNH2CACNA1CSCN5ACHKAPTGS1

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.