SCHEMBL5541557

SCHEMBL5541557

[CH2]c1cccc(Oc2ccccc2OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
ACHE P22303 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
HTR1A P08908 1/20 0.35
TSPO P30536 1/20 0.34

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
SCHEMBL5537743 0.81 ALDH1A1 (0.59) ALDH1A1GAAMAPK1HTTL3MBTL1
SCHEMBL231105 0.80 RXRA (0.46) ALDH1A1GAAHTTL3MBTL1MEN1
SCHEMBL24926216 0.80 ALDH1A1 (0.50) NPSR1ALDH1A1GAANTRK1NTRK3
SCHEMBL10551418 0.79 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2APTGS1
SCHEMBL5545509 0.77 AR (0.46) ALDH1A1GAAACHEMEN1KMT2A
SCHEMBL6498723 0.76 TTR (0.50) NPSR1ALDH1A1GAANTRK1NTRK3
SCHEMBL28851801 0.75 ALDH1A1 (0.52) NPSR1ALDH1A1GAAACHEIRAK4
SCHEMBL10547210 0.74 DPP4 (0.46) NPSR1ALDH1A1GAAHTTMEN1
SCHEMBL10550903 0.74 GAA (0.39) ALDH1A1GAANTRK1NTRK3NTRK2
SCHEMBL1584778 0.74 PARP10 (0.44) ALDH1A1GAAMEN1KMT2AHTR1A

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 6 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
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 NPSR1 747/4885ALDH1A1 355/4885GAA 4165/4885

“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.