SCHEMBL5546609

SCHEMBL5546609

[CH2]c1ccccc1NCc1ccccc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TACR1 P25103 1/20 0.43
P2RX7 Q99572 1/20 0.42
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SLC2A1 P11166 1/20 0.37
HIF1A Q16665 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL5545750 0.83 L3MBTL1 (0.67) L3MBTL1ALDH1A1GAAHPGDMAPT
SCHEMBL7568020 0.79 CACNA1B (0.47) L3MBTL1ALDH1A1TACR1P2RX7HPGD
SCHEMBL5544589 0.76 KDM4C (0.48) L3MBTL1ALDH1A1GAAMAPTNPSR1
SCHEMBL5543496 0.76 HDAC3 (0.48) L3MBTL1ALDH1A1TACR1P2RX7GAA
SCHEMBL417252 0.75 SLC6A4 (0.51) ALDH1A1TACR1P2RX7GAATAS1R3
SCHEMBL22957875 0.75 TAS1R3 (0.46) L3MBTL1ALDH1A1TACR1P2RX7GAA
SCHEMBL5542214 0.75 KDM4E (0.62) L3MBTL1ALDH1A1GAAHPGDMAPT
SCHEMBL7980703 0.74 ALDH1A1 (0.62) L3MBTL1ALDH1A1TACR1P2RX7GAA
SCHEMBL12000676 0.74 TACR1 (0.48) L3MBTL1ALDH1A1TACR1P2RX7GAA
SCHEMBL688010 0.74 MAPT (0.53) ALDH1A1GAAHPGDMAPTKDM4E

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 L3MBTL1 1931/4885ALDH1A1 355/4885TACR1 1465/4885

“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.