SCHEMBL5541809

SCHEMBL5541809

CN(C(=O)OCC(C)(O)Cn1cc([N+](=O)[O-])nc1Cl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
LIPE Q05469 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H3 Q13133 1/20 0.32
TSHR P16473 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5541799 1.00 KCNH2 (0.39) KCNH2CHRM1LMNAGPBAR1KMT2A
SCHEMBL5543696 0.89 KMT2A (0.42) LMNAKMT2AMITFLIPESMN1; SMN2
SCHEMBL5541589 0.88 KCNH2 (0.38) KCNH2CHRM1
SCHEMBL5541581 0.88 KCNH2 (0.38) KCNH2CHRM1
SCHEMBL5534918 0.83 KMT2A (0.41) KCNH2LMNAKMT2AMITFSMN1; SMN2
SCHEMBL5534917 0.83 KMT2A (0.41) KCNH2LMNAKMT2AMITFSMN1; SMN2
SCHEMBL5538475 0.80 CHRM1 (0.41) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5536163 0.80 PTGS1 (0.43) KCNH2LMNAPTGS1SLC6A2SLC6A4
SCHEMBL5536156 0.80 PTGS1 (0.43) KCNH2LMNAPTGS1SLC6A2SLC6A4
SCHEMBL5538482 0.80 CHRM1 (0.41) KCNH2CHRM1PTGS1SLC6A2SLC6A4

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 3503/4885CHRM1 463/4885LMNA 4152/4885

“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.