SCHEMBL5544133

SCHEMBL5544133

COc1cc(OC)c(COC(=O)N2CCN(C[C]=O)CC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
DRD3 P35462 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2C P18825 1/20 0.38
OPRK1 P41145 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
SCHEMBL5545263 0.85 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1KMT2AMEN1
SCHEMBL5548466 0.79 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL5543597 0.79 MEN1 (0.46) ALDH1A1NPSR1KMT2AMEN1LMNA
SCHEMBL2093936 0.76 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1KMT2AMEN1
SCHEMBL5544257 0.71 L3MBTL1 (0.48) ALDH1A1KMT2AMEN1LMNA
SCHEMBL1315443 0.71 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1KMT2AMEN1
SCHEMBL6668869 0.70 CYP3A4 (0.49) ALDH1A1HPGDCYP2C19SMN1; SMN2CYP2D6
SCHEMBL5538973 0.70 FNTA (0.52) ALDH1A1NPSR1KMT2AMEN1LMNA
SCHEMBL5542661 0.70 MGLL (0.47) ALDH1A1NPSR1KMT2AMEN1LMNA
SCHEMBL27857935 0.70 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AMEN1LMNA

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 ALDH1A1 355/4885HPGD 3159/4885NPSR1 747/4885

“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.