SCHEMBL5544629

SCHEMBL5544629

Nc1ccc(CCO[C]=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 5/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL5539411 0.88 MAOB (0.48) GFERMAOBMAOANPC1RAB9A
SCHEMBL5548410 0.86 MAOB (0.52) GFERMAOBMAOANPC1RAB9A
SCHEMBL5544910 0.85 MAOB (0.50) GFERMAOBMAOANPC1RAB9A
SCHEMBL5535673 0.85 MAOB (0.50) GFERMAOBMAOANPC1RAB9A
SCHEMBL28428894 0.79 TAAR1 (0.45) MAOBMAOA
SCHEMBL2096495 0.79 TAAR1 (0.45) MAOBMAOA
SCHEMBL2094071 0.79 TAAR1 (0.45) MAOBMAOALOXL2
SCHEMBL5544719 0.79 CYP3A4 (0.39) CYP3A4
SCHEMBL26582 0.78 CA1 (0.48) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL177563 0.78 ALDH1A1 (0.44) GFERMAOBMAOARAB9ARECQL

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 10 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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 GFER 1352/4885MAOB 2140/4885MAOA 2885/4885

“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.