SCHEMBL322236

SCHEMBL322236

CCOCCOc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
NCF1 P14598 2/20 0.42
KDM4E B2RXH2 3/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NQO1 P15559 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACACB O00763 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
APP P05067 1/20 0.36
EPHX2 P34913 1/20 0.36
RARB P10826 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2457210 0.98 KDM4E (0.45) THRANCF1KDM4ERECQLL3MBTL1
SCHEMBL919504 0.90 ALDH1A1 (0.43) THRAKDM4EL3MBTL1NQO1ALDH1A1
SCHEMBL920395 0.90 SMN1; SMN2 (0.42) THRANCF1KDM4ENQO1CYP2D6
SCHEMBL921599 0.88 NR5A1 (0.43) KDM4ENQO1ALDH1A1SMN1; SMN2TSHR
SCHEMBL919784 0.88 NR5A1 (0.43) KDM4ENQO1ALDH1A1SMN1; SMN2TSHR
SCHEMBL920256 0.88 NR5A1 (0.43) KDM4ENQO1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7928494 0.86 LMNA (0.41) KDM4ERECQLL3MBTL1TDP1ALDH1A1
SCHEMBL4061378 0.84 NQO1 (0.57) THRANCF1KDM4ERECQLL3MBTL1
SCHEMBL10785918 0.84 KCNA3 (0.43) KDM4ERECQLNQO1TDP1ALDH1A1
SCHEMBL2499531 0.83 NQO1 (0.44) KDM4ERECQLNQO1TDP1ALDH1A1

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 159 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102234287-B Nitro glyoxaline compound, Preparation Method And The Use SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2015-08-05 CN claimed
EP-2573090-B1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6-YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD (CN) 2014-12-10 EP claimed
US-8563547-B2 (6,7-dihydro-2-nitro-5H-imidazol[2,1-b][1,3]oxazin-6-yl) amide compounds, preparation methods and uses thereof SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-22 US claimed
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-06 US claimed
EP-2573090-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6-YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd (CN) 2013-03-27 EP claimed
CN-102234287-A Nitro imidazole compound, its preparation method and application SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-11-09 CN claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-7759349-B2 Control of parasites in animals by the use of imidazo[1,2-b]pyridazine derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2010-07-20 US claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
EP-0991620-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 2000-04-12 EP claimed
US-6022898-A ALPHA-SULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACIDS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US claimed
EP-0766665-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-07-28 EP claimed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO claimed
EP-0766665-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP claimed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP claimed
WO-1995035276-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO claimed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO claimed
EP-0254856-B1 PYRIDINETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP claimed
US-4988714-A Drugs for treatment of obesity and diabetics, increases protein breakdown, for fattening animals HOFFMANN-LA ROCHE INC. (US) 1991-01-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 THRA 1633/4885NCF1 3702/4885KDM4E 3511/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 THRA 4516/4885NCF1 3079/4885KDM4E 2254/4885
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF MT-ND6, SLC11A2, NDUFB7 THRA 3344/4885NCF1 808/4885KDM4E 3845/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 THRA 4207/4885NCF1 2323/4885KDM4E 793/4885

“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.