SCHEMBL5542599

SCHEMBL5542599

O=[C]N(CCCCCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.57
KCNH2 Q12809 1/20 0.46
ALOX5 P09917 2/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42

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
SCHEMBL5542089 1.00 SIGMAR1 (0.57) SIGMAR1KCNH2ALOX5MAPTRXFP1
SCHEMBL5537797 0.98 SIGMAR1 (0.54) SIGMAR1KCNH2ALOX5MAPTRXFP1
SCHEMBL5540856 0.93 SIGMAR1 (0.47) SIGMAR1KCNH2ALOX5ALDH1A1
SCHEMBL10012696 0.91 SIGMAR1 (0.58) SIGMAR1KCNH2ALOX5MAPTRXFP1
SCHEMBL10013075 0.91 SIGMAR1 (0.58) SIGMAR1KCNH2ALOX5MAPTRXFP1
SCHEMBL10012183 0.89 SIGMAR1 (0.55) SIGMAR1KCNH2
SCHEMBL7326431 0.85 ALDH1A1 (0.50) SIGMAR1ALOX5ALDH1A1
SCHEMBL4585886 0.85 KCNH2 (0.49) SIGMAR1KCNH2ALDH1A1
SCHEMBL10590827 0.85 SIGMAR1 (0.56) SIGMAR1ALDH1A1
SCHEMBL4585544 0.85 KCNH2 (0.49) SIGMAR1KCNH2ALDH1A1

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 SIGMAR1 234/4885KCNH2 3503/4885ALOX5 3374/4885

“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.