SCHEMBL1764815

SCHEMBL1764815

COCCN(CCOC)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CD O00329 1/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC9A5 Q14940 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NAMPT P43490 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL11364440 0.91 MLYCD (0.39) MLYCDSLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL1416606 0.87 MLYCD (0.34) MLYCDSLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL1416452 0.86 MLYCD (0.32) MLYCDSLC6A2SLC6A4
SCHEMBL1416451 0.86 MLYCD (0.32) MLYCD
SCHEMBL3096169 0.83 MLYCD (0.31) MLYCD
SCHEMBL2117049 0.79 MLYCD (0.40) MLYCDSLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL731386 0.78
SCHEMBL3725299 0.78
SCHEMBL11373230 0.78 MAPK1 (0.38) MLYCDALDH1A1TSHRHDAC1HDAC6
SCHEMBL5932697 0.77 MLYCD (0.39) MLYCDSLC6A2SLC6A4ALDH1A1TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 EP claimed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO claimed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO claimed
EP-1772493-B1 AZO DYE FUJIFILM CORP (JP) 2016-07-20 EP disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 EP disclosed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO disclosed
US-20110130552-A1 AZO DYE FUJIFILM CORPORATION (JP) 2011-06-02 US disclosed
US-20110124849-A1 AZO DYE FUJIFILM CORPORATION (JP) 2011-05-26 US disclosed
US-7947815-B2 Diazenyl isothiazolo[3,4-B]pyridines as dyes FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-7651538-B2 2-(cyano-),4-((6-methyl-),(7-(cyano-)isothiazolo(4,3-c)pyrid-3-yl)-azo-)phenol; vividcoloring; stability; radiation resistance; shampoo and sweat resistances; friction resistance; heat resistance; alkali resistance; oxidation color dyes; direct dyes; monoazo dyes KAO CORPORATION (JP) 2010-01-26 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
US-20090056038-A1 2-(cyano-),4-((6-methyl-),(7-(cyano-)isothiazolo(4,3-c)pyrid-3-yl)-azo-)phenol; vividcoloring; stability; radiation resistance; shampoo and sweat resistances; friction resistance; heat resistance; alkali resistance; oxidation color dyes; direct dyes; monoazo dyes KAO CORPORATION (JP) 2009-03-05 US disclosed
WO-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed
US-20080027221-A1 Azo Dye FUJIFILM CORPORATION (JP) 2008-01-31 US disclosed
EP-1849454-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2007-10-31 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
EP-1772493-A1 AZO DYE Fujifilm Corporation (JP) 2007-04-11 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 (2 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-20090056038-A1 2-(cyano-),4-((6-methyl-),(7-(cyano-)isothiazolo(4,3-c)pyrid-3-yl)-azo-)phenol; vividcoloring; stability; radiation resistance; shampoo and sweat resistances; friction resistance; heat resistance; alkali resistance; oxidation color dyes; direct dyes; monoazo dyes SCO2, IK, AR MLYCD 3723/4885SLC6A2 2046/4885SLC6A4 1626/4885
US-20080027221-A1 Azo Dye IK, ACMSD, ARG1 MLYCD 2171/4885SLC6A2 3612/4885SLC6A4 2482/4885

“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.