SCHEMBL5539571

SCHEMBL5539571

[CH2]c1ccc2c(c1)C(C)(C)C(=O)N2C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 4/20 0.39
MARK4 Q96L34 1/20 0.39
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
TP53 P04637 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
SCHEMBL5541395 0.85 MARK3 (0.36) MARK3ALDH1A1SLC6A4SLC6A2GLA
SCHEMBL5539575 0.84 MAPT (0.46) MARK3MARK4MAPTALDH1A1SLC6A4
SCHEMBL5543409 0.76 AURKA (0.40) MARK3ALDH1A1MEN1KMT2ATP53
SCHEMBL5544414 0.74 PGR (0.38) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL5539731 0.73 MEN1 (0.50) MAPTGAAMEN1KMT2ATP53
SCHEMBL5542087 0.71 MEN1 (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL5546476 0.70 SCN9A (0.44) ALDH1A1MEN1KMT2A
SCHEMBL5541199 0.70 MEN1 (0.33) MEN1KMT2A
SCHEMBL5543405 0.70 SLC6A2 (0.35) SLC6A4SLC6A2
SCHEMBL5548195 0.69 SCN9A (0.43) MEN1KMT2A

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 MARK3 1779/4885MARK4 4017/4885MAPT 4117/4885

“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.