SCHEMBL5539746

SCHEMBL5539746

O=[C]OCCc1nnnn1-c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.40
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 4/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.33
NLRP3 Q96P20 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
MEN1 O00255 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PPARG P37231 1/20 0.31
MGLL Q99685 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL5539749 0.83 KCNN4 (0.41) HSD11B1KCNN4ALDH1A1KMT2APKM
SCHEMBL5548018 0.81 HSD11B1 (0.53) HSD11B1ALDH1A1KMT2APKMLMNA
SCHEMBL5537088 0.80 ALDH1A1 (0.42) HSD11B1ALDH1A1KMT2APKMLMNA
SCHEMBL5537170 0.78 ALDH1A1 (0.49) HSD11B1ALDH1A1KMT2APKMLMNA
SCHEMBL5544587 0.74 NPC1 (0.36) HSD11B1KCNN4ALDH1A1PKMHTT
SCHEMBL5547707 0.74 KCNN4 (0.41) HSD11B1KCNN4ALDH1A1KMT2APKM
SCHEMBL5543435 0.73 ALDH1A1 (0.48) HSD11B1ALDH1A1PKMLMNAHTT
SCHEMBL5546084 0.73 HSD11B1 (0.50) HSD11B1ALDH1A1KMT2APKMLMNA
SCHEMBL5543968 0.73 POLB (0.48) HSD11B1ALDH1A1KMT2APKMLMNA
SCHEMBL5536565 0.72 HSD11B1 (0.44) HSD11B1ALDH1A1KMT2APKMLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 256/4885KCNN4 3997/4885ALDH1A1 355/4885

“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.