SCHEMBL5546087

SCHEMBL5546087

O=COCCc1nnnn1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.50
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.39
PTGS2 P35354 3/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NLRP3 Q96P20 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5543439 0.86 ALDH1A1 (0.48) HSD11B1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL5537177 0.86 ALDH1A1 (0.49) HSD11B1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL5548019 0.86 HSD11B1 (0.53) HSD11B1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL5536571 0.84 HSD11B1 (0.44) HSD11B1ALDH1A1LMNANPSR1MAPT
SCHEMBL5544591 0.83 NPC1 (0.37) HSD11B1ALDH1A1L3MBTL1MAPTHTT
SCHEMBL5546084 0.81 HSD11B1 (0.50) HSD11B1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL5543973 0.77 POLB (0.45) HSD11B1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9201834 0.77 HSD11B1 (0.54) HSD11B1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL5537091 0.76 ALDH1A1 (0.42) HSD11B1ALDH1A1LMNANPSR1MAPT
SCHEMBL5539749 0.74 KCNN4 (0.41) HSD11B1ALDH1A1LMNANPSR1PKM

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 HSD11B1 256/4885ALDH1A1 355/4885LMNA 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.