SCHEMBL5541798

SCHEMBL5541798

CNC(C1CCN(c2ccc(C#N)cc2)CC1)C1(C)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 5/20 0.38
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 2/20 0.32
HTR7 P34969 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
CYP3A4 P08684 1/20 0.30
IDH1 O75874 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30

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
SCHEMBL5541783 1.00 PTGS1 (0.45) PTGS1SLC6A2SLC6A4KCNH2SLC6A9
SCHEMBL5547184 0.89 PTGS1 (0.45) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5547175 0.89 PTGS1 (0.45) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5546647 0.87 PTGS1 (0.49) PTGS1SLC6A2SLC6A4KCNH2SLC6A9
SCHEMBL5546643 0.87 PTGS1 (0.49) PTGS1SLC6A2SLC6A4KCNH2SLC6A9
SCHEMBL5540693 0.85 PTGS1 (0.62) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5540684 0.85 PTGS1 (0.62) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5541795 0.77 PTGS1 (0.52) PTGS1SLC6A2SLC6A4KCNH2SLC6A9
SCHEMBL5544320 0.76 KCNH2 (0.40) PTGS1SLC6A2SLC6A4KCNH2GPR119
SCHEMBL5544330 0.76 KCNH2 (0.40) PTGS1SLC6A2SLC6A4KCNH2GPR119

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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.