SCHEMBL5534944

SCHEMBL5534944

CCc1cccc2c(C)[c]sc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.31
KCNH2 Q12809 2/20 0.31
SCN5A Q14524 2/20 0.31
NPEPPS P55786 2/20 0.30
CACNA1C Q13936 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5539123 0.76 CYP1A2 (0.44) ALDH1A1
SCHEMBL2009954 0.73 CYP1A2 (0.41) ALDH1A1
SCHEMBL29985931 0.71 GABRA1 (0.46) GABRA1GABRB2ALDH1A1LMNAHTT
SCHEMBL1766101 0.71 GABRA1 (0.46) GABRA1GABRB2ALDH1A1LMNAHTT
SCHEMBL5547847 0.70 CA2 (0.38) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL5536823 0.69 ALDH1A1 (0.36) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL2112027 0.68 CYP2A6 (0.39) GABRA1GABRB2ALDH1A1KMT2AMEN1
SCHEMBL3238496 0.67 GABRA1 (0.57) GABRA1GABRB2ALDH1A1LMNAHTT
SCHEMBL5022689 0.64 GPR3 (0.48) GABRA1GABRB2ALDH1A1LMNAKMT2A
SCHEMBL5539558 0.64 GABRA1 (0.39) GABRA1GABRB2KCNH2SCN5ACACNA1C

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 GABRA1 692/4885GABRB2 554/4885ALDH1A1 355/4885

“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.