SCHEMBL4122649

SCHEMBL4122649

CCOC(=O)c1nccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CDC25B P30305 2/20 0.52
CDC25A P30304 1/20 0.52
CDC25C P30307 1/20 0.52
POLB P06746 1/20 0.51
RAB9A P51151 3/20 0.50
BRD4 O60885 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
CNR2 P34972 2/20 0.49
ELANE P08246 2/20 0.49
HCRTR1 O43613 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.47

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
Hydrochloric Acid SCHEMBL3062533 0.98 KMT2A (0.57) KMT2AKDM4EMAPK1L3MBTL1CDC25B
SCHEMBL27906657 0.85 TSHR (0.53) KDM4EMAPK1L3MBTL1CNR2TP53
SCHEMBL5935773 0.83 TSHR (0.55) KDM4EMAPK1L3MBTL1POLBRAB9A
SCHEMBL30301713 0.82 CNR2 (0.52) KMT2AKDM4EL3MBTL1RAB9AMEN1
SCHEMBL7631322 0.82 CNR2 (0.52) KMT2AKDM4EL3MBTL1RAB9AMEN1
SCHEMBL8561476 0.81 CYP2A6 (0.51) KMT2AKDM4EMAPK1L3MBTL1CDC25B
SCHEMBL5682388 0.81 CNR2 (0.46) KMT2AKDM4EMAPK1L3MBTL1CDC25B
SCHEMBL11609998 0.80 CNR2 (0.43) KMT2AKDM4EMAPK1L3MBTL1CDC25B
SCHEMBL2002683 0.80 ALDH1A1 (0.49) MAPK1POLBBRD4ELANEMAPT
SCHEMBL7435091 0.79 CDC25B (0.54) KMT2AKDM4EMAPK1L3MBTL1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139859-B2 Method for preparing (R)-praziquantel TONGLI BIOMEDICAL CO., LTD (CN) 2015-09-22 US disclosed
US-9068214-B2 Method for preparing (R)-praziquantel TONGLI BIOMEDICAL CO., LTD (CN) 2015-06-30 US disclosed
US-20140370556-A1 METHOD FOR PREPARING (R)-PRAZIQUANTEL TONGLI BIOMEDICAL CO., LTD (CN) 2014-12-18 US disclosed
US-20140370555-A1 METHOD FOR PREPARING (R)-PRAZIQUANTEL TONGLI BIOMEDICAL CO., LTD (CN) 2014-12-18 US disclosed
CN-103145616-A Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN INC 2013-06-12 CN disclosed
US-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 EP disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 EP disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
US-20040038974-A1 Chromone derivatives as matrix metalloproteinase inhibitors ORTWINE DANIEL FRED (US) 2004-02-26 US disclosed
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US disclosed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-6635647-B2 Such as (4-(3,4-difluoro-phenyl)-piperazin-1-yl)-((4,4,8)-2-(3-(6-methoxy-pyridin-3 -yl)-2-methyl-propyl)-decahydro-isoquinolin-4-yl)-methanone; schizophrenia, depression, anxiety, bipolar disorders NOVARTIS AG (CH) 2003-10-21 US disclosed
CN-1052004-C Heterocyclic compounds, their production and use TALCEDA CHEMICAL IND LTD (JP) 2000-05-03 CN disclosed
CN-1034552-C Improvements in and relating to organic compounds LILLY CO ELI (US) 1997-04-16 CN 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 (10 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 KMT2A 467/4885KDM4E 724/4885MAPK1 2862/4885
US-20040038974-A1 Chromone derivatives as matrix metalloproteinase inhibitors MMP9, MMP20, MMP25 KMT2A 3833/4885KDM4E 825/4885MAPK1 233/4885
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 KMT2A 1792/4885KDM4E 2342/4885MAPK1 4175/4885
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 KMT2A 3490/4885KDM4E 2033/4885MAPK1 461/4885
US-20140370555-A1 METHOD FOR PREPARING (R)-PRAZIQUANTEL CYP3A5, POR, CYP3A43 KMT2A 3375/4885KDM4E 1393/4885MAPK1 4478/4885
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP1 KMT2A 1644/4885KDM4E 462/4885MAPK1 590/4885
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 KMT2A 3394/4885KDM4E 1030/4885MAPK1 269/4885
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis MMP13, MMP11, MMP9 KMT2A 4041/4885KDM4E 2282/4885MAPK1 345/4885
US-20140370556-A1 METHOD FOR PREPARING (R)-PRAZIQUANTEL CYP3A5, POR, CYP3A43 KMT2A 3375/4885KDM4E 1393/4885MAPK1 4478/4885
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 KMT2A 3890/4885KDM4E 1434/4885MAPK1 577/4885

“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.