SCHEMBL5545330

SCHEMBL5545330

COc1ccc(CN2CCN(CC3(C)CO3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CMA1 P23946 1/20 0.48
HDAC1 Q13547 1/20 0.46
GRM2 Q14416 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL5540098 0.85 ERCC1 (0.52) GRM2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5547302 0.84 RAB9A (0.54) HDAC1GRM2SMN1; SMN2ALDH1A1MEN1
SCHEMBL5539132 0.84 HSD11B1 (0.46) HDAC1GRM2ALDH1A1MEN1KMT2A
SCHEMBL5539716 0.83 KMT2A (0.54) GAAHDAC1ALDH1A1MEN1KMT2A
SCHEMBL5539273 0.82 BTK (0.47) GAAHDAC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL27734214 0.75 HDAC1 (0.53) GAACMA1HDAC1GRM2SMN1; SMN2
SCHEMBL21382559 0.75 GAA (0.49) GAACMA1HDAC1GRM2SMN1; SMN2
SCHEMBL5535824 0.74 KCNH2 (0.51) GAAHDAC1SMN1; SMN2MAPTLMNA
SCHEMBL30929302 0.71 CMA1 (0.51) GAACMA1HDAC1GRM2SMN1; SMN2
SCHEMBL21803448 0.70 GAA (0.50) GAACMA1GRM2SMN1; SMN2GSK3A

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 GAA 4165/4885CMA1 4476/4885HDAC1 322/4885

“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.