SCHEMBL5545125

SCHEMBL5545125

CCC1(COC(=O)Nc2ccccc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.42
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5540712 0.84 KCNH2 (0.42) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL5547392 0.81 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4TSHR
SCHEMBL5535073 0.79 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL5542983 0.78 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL5544372 0.77 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4TSHR
SCHEMBL5539108 0.76 KCNH2 (0.46) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL5537075 0.75 KCNH2 (0.46) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL19718896 0.75 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL5534763 0.74 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL5542192 0.72 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4KMT2A

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 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.