SCHEMBL5535230

SCHEMBL5535230

COc1ccc(CN2CCN(CC3(C)Cn4cc([N+](=O)[O-])nc4O3)C2=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.48
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
BTK Q06187 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EGLN1 Q9GZT9 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL5535824 0.87 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5545387 0.80 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541465 0.79 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5546700 0.78 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542770 0.78 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539273 0.76 BTK (0.47) BTKKMT2AMEN1EGLN1ALDH1A1
SCHEMBL5538036 0.75 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14966010 0.72 KDM4E (0.48) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL5542030 0.72 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542960 0.72 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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.