SCHEMBL5545263

SCHEMBL5545263

COc1ccc(COC(=O)N2CCN(C[C]=O)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 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
SCHEMBL5544133 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5544257 0.78 L3MBTL1 (0.48) ALDH1A1KMT2AMEN1MAPK1
SCHEMBL5538973 0.75 FNTA (0.52) ALDH1A1KDM4ESMN1; SMN2NPSR1GAA
SCHEMBL27621744 0.72 APLNR (0.53) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL5543597 0.71 MEN1 (0.46) ALDH1A1KDM4ESMN1; SMN2NPSR1GAA
SCHEMBL8865449 0.70 APLNR (0.56) ALDH1A1NPSR1KMT2AMEN1POLB
SCHEMBL11819760 0.70 APLNR (0.51) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL19860802 0.70 APLNR (0.51) ALDH1A1TDP1HPGDKMT2AMEN1
SCHEMBL21125954 0.68 APLNR (0.49) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL5548466 0.68 MEN1 (0.44) ALDH1A1KDM4ETDP1GAAKMT2A

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 ALDH1A1 355/4885KDM4E 4854/4885SMN1; SMN2 3985/4885

“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.