SCHEMBL5539749

SCHEMBL5539749

O=COCCc1nnnn1-c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.41
HSD11B1 P28845 6/20 0.41
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.34
NLRP3 Q96P20 1/20 0.34
MEN1 O00255 3/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 1/20 0.31
MGLL Q99685 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
SCHEMBL5539746 0.83 HSD11B1 (0.40) KCNN4HSD11B1KMT2AALDH1A1PKM
SCHEMBL5548019 0.82 HSD11B1 (0.53) HSD11B1KMT2AALDH1A1PKMLMNA
SCHEMBL5537091 0.81 ALDH1A1 (0.42) HSD11B1KMT2AALDH1A1PKMLMNA
SCHEMBL5537177 0.80 ALDH1A1 (0.49) HSD11B1KMT2AALDH1A1PKMLMNA
SCHEMBL5547707 0.75 KCNN4 (0.41) KCNN4HSD11B1KMT2AALDH1A1PKM
SCHEMBL5543439 0.74 ALDH1A1 (0.48) HSD11B1ALDH1A1PKMLMNAHTT
SCHEMBL5546087 0.74 HSD11B1 (0.50) HSD11B1KMT2AALDH1A1PKMLMNA
SCHEMBL5544591 0.74 NPC1 (0.37) KCNN4HSD11B1ALDH1A1HTTNPC1
SCHEMBL5543973 0.74 POLB (0.45) HSD11B1KMT2AALDH1A1PKMLMNA
SCHEMBL5536571 0.73 HSD11B1 (0.44) HSD11B1KMT2AALDH1A1PKMLMNA

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 KCNN4 3997/4885HSD11B1 256/4885KMT2A 4267/4885

“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.