SCHEMBL5546075

SCHEMBL5546075

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MAPT P10636 9/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
DRD4 P21917 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
TYR P14679 1/20 0.48
DRD2 P14416 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD3 P35462 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL5546069 0.86 KDM4E (0.49) GAAMAPTMAPK1TDP1KDM4E
SCHEMBL5542069 0.79 DRD4 (0.66) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL5544199 0.78 ALDH1A1 (0.63) MAPTMAPK1KDM4EALDH1A1DRD4
SCHEMBL11184360 0.78 USP2 (0.64) GAAMAPTTDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11180895 0.77 USP2 (0.62) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL28802676 0.77 SIGMAR1 (0.66) GAAMAPTKDM4EALDH1A1DRD4
SCHEMBL13090000 0.76 L3MBTL1 (0.62) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL27645277 0.75 KDM4E (0.49) GAAMAPTMAPK1TDP1KDM4E
SCHEMBL5542895 0.74 DRD4 (0.55) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL27629458 0.74 HTR1A (0.43) GAAMAPTMAPK1TDP1KDM4E

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 7 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
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 GAA 4165/4885MAPT 4117/4885MAPK1 1392/4885

“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.