SCHEMBL5537556

SCHEMBL5537556

CCNC1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 2/20 0.52
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 5/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
DRD4 P21917 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.38
GFER P55789 2/20 0.38
NPY2R P49146 1/20 0.38

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
Benzene SCHEMBL27474247 0.97 ME3 (0.57) ME3HSP90AA1HSP90AB1MAPTGAA
SCHEMBL5540081 0.87 ME3 (0.50) ME3MAPTGAAKDM4ELMNA
SCHEMBL8725147 0.85 ADRB1 (0.46) HSP90AA1HSP90AB1MAPTGAAKDM4E
SCHEMBL13380458 0.85 MAPT (0.54) ME3HSP90AA1HSP90AB1MAPTGAA
SCHEMBL8725144 0.83 HSP90AA1 (0.40) ME3HSP90AA1HSP90AB1MAPTGAA
SCHEMBL22837858 0.83 HSP90AA1 (0.40) ME3HSP90AA1HSP90AB1MAPTGAA
SCHEMBL5537549 0.83 SMN1; SMN2 (0.42) ME3HSP90AA1HSP90AB1MAPTGAA
SCHEMBL13798544 0.83 CHRNA7 (0.50) ME3HSP90AA1HSP90AB1SMN1; SMN2ACHE
SCHEMBL5535481 0.81 HSP90AA1 (0.41) ME3HSP90AA1HSP90AB1MAPTGAA
SCHEMBL5537153 0.81 ME3 (0.52) ME3MAPTGAAKDM4ELMNA

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 7 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
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 ME3 146/4885HSP90AA1 2426/4885HSP90AB1 2045/4885

“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.