SCHEMBL5543871

SCHEMBL5543871

CN(Cc1ccccc1)C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ACHE P22303 1/20 0.36
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL5545571 0.90 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535699 0.90 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5545578 0.90 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535696 0.90 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537914 0.88 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537922 0.88 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544460 0.88 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544472 0.88 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL14776016 0.87 KCNH2 (0.54) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5538812 0.87 KCNH2 (0.54) 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 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.