SCHEMBL5547719

SCHEMBL5547719

COc1cc(OC)c(Nc2cc[c]cc2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAP2K1 Q02750 2/20 0.38
RAF1 P04049 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
SCHEMBL5543677 0.79 GAA (0.51) MAPTGAAMAPK1NPSR1ALDH1A1
SCHEMBL3192483 0.78 ALDH1A1 (0.50) L3MBTL1KDM4EMAPTNPC1GAA
SCHEMBL27982517 0.76 GAA (0.57) L3MBTL1KDM4EMAPTGAANPSR1
SCHEMBL6154131 0.75 MAPT (0.74) L3MBTL1KDM4EMAPTNPC1GAA
SCHEMBL5534348 0.75 DHFR (0.49) KDM4EMAPTGAATDP1ALDH1A1
SCHEMBL8727116 0.73 EGFR (0.45) L3MBTL1KDM4EMAPTNPC1GAA
SCHEMBL8723586 0.73 BRAF (0.49) MAPTMAPK1KMT2AMEN1POLB
SCHEMBL5541098 0.71 MTNR1B (0.58) KDM4EMAPTNPC1GAAMAPK1
SCHEMBL2091132 0.70 CA12 (0.42) L3MBTL1MAPK1ALDH1A1CA12CA1
SCHEMBL15883178 0.69 ALDH1A1 (0.58) L3MBTL1MAPTGAAALDH1A1CA12

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 9 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-2411355-B1 Alcohol as sandalwood odorant FIRMENICH & CIE (CH) 2013-01-16 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-20110311469-A1 ALCOHOL AS SANDALWOOD ODORANT FIRMENICH SA (CH) 2011-12-22 US 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 (2 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 L3MBTL1 1931/4885KDM4E 4854/4885MAPT 4117/4885
US-20110311469-A1 ALCOHOL AS SANDALWOOD ODORANT ADH1C, ADH5, ADH1A L3MBTL1 2896/4885KDM4E 1467/4885MAPT 2168/4885

“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.