SCHEMBL5548427

SCHEMBL5548427

CCOc1cccc2co[c]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ENPP1 P22413 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 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
SCHEMBL4477982 0.79 CA1 (0.41) ALDH1A1MAPTCA12CA1CA2
SCHEMBL2256393 0.73 ALDH1A1 (0.46) ALDH1A1ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL5544204 0.72 GABRA1 (0.40) ALDH1A1MAPTKDM4E
SCHEMBL5537433 0.71 CYP2A6 (0.45) ALDH1A1ENPP1L3MBTL1MAPTNPSR1
SCHEMBL4724628 0.71 ENPP1 (0.49) ALDH1A1ADORA3ADORA2AADORA1ENPP1
SCHEMBL45343 0.71 HTR1B (0.61) ALDH1A1TDP1KDM4E
1,2-Diethoxybenzene SCHEMBL29428929 0.71 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL578986 0.71 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL5546649 0.70 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL3826271 0.70 MAPT (0.50) ALDH1A1L3MBTL1MAPTNPSR1GLA

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
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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
US-4937246-A ABSORBED EASILY FROM INTESTINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
EP-0318235-A2 PAF antagonist, 1,4-disubstituted piperazine compounds and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-05-31 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 355/4885ADORA3 203/4885ADORA2A 1954/4885

“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.