SCHEMBL5546069

SCHEMBL5546069

COc1cc(OC)c(CN2CCN(c3ccc([O])cc3)CC2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPT P10636 7/20 0.47
ALDH1A1 P00352 2/20 0.47
DRD2 P14416 1/20 0.47
MAPK1 P28482 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 5/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
DRD4 P21917 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
DRD3 P35462 1/20 0.45
SMO Q99835 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5546075 0.86 GAA (0.52) KDM4EMAPTALDH1A1DRD2MAPK1
SCHEMBL5542061 0.79 SIGMAR1 (0.60) KDM4EMAPTALDH1A1DRD2MAPK1
SCHEMBL5544192 0.78 ALDH1A1 (0.63) KDM4EMAPTALDH1A1DRD2MAPK1
SCHEMBL27645277 0.75 KDM4E (0.49) KDM4EMAPTALDH1A1DRD2MAPK1
SCHEMBL5548466 0.74 MEN1 (0.44) KDM4EALDH1A1MAPK1GAALMNA
SCHEMBL5542890 0.74 KDM4E (0.45) KDM4EMAPTALDH1A1DRD2GAA
SCHEMBL27857935 0.73 ALDH1A1 (0.50) KDM4EMAPTALDH1A1GAALMNA
SCHEMBL14252518 0.72 ADRB1 (0.53) ALDH1A1MEN1KMT2AUSP2
SCHEMBL2096433 0.72 MEN1 (0.46) KDM4EALDH1A1MAPK1GAALMNA
SCHEMBL6901375 0.71 LMNA (0.65) KDM4EMAPTALDH1A1DRD2MAPK1

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 KDM4E 4854/4885MAPT 4117/4885ALDH1A1 355/4885

“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.