SCHEMBL769698

SCHEMBL769698

[c]1ccoc1-c1ccoc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
TTK P33981 1/20 0.32
FYN P06241 1/20 0.31
CNR2 P34972 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PIM1 P11309 1/20 0.30
CDK8 P49336 1/20 0.30
PPARA Q07869 1/20 0.30
ERN1 O75460 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
SCHEMBL512152 0.70 CYP1A2 (0.46)
SCHEMBL21295764 0.70 NOTUM (0.46)
SCHEMBL5539585 0.70 NPC1 (0.39)
SCHEMBL5539417 0.70 PTGS1 (0.38)
SCHEMBL3785401 0.70 TAAR1 (0.46)
SCHEMBL7191487 0.69 LPL (0.46) IMPDH2ADORA2ACNR2CHRM2CHRM4
SCHEMBL1126802 0.69 ALDH1A1 (0.50) IMPDH2ADORA2AADORA1TTKFYN
SCHEMBL25036 0.68
SCHEMBL1521945 0.68 IMPDH2 (0.37) IMPDH2ADORA2AADORA1TTKFYN
SCHEMBL11542376 0.68 CYP2A6 (0.50) ADORA2AADORA1FYNLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
US-8816081-B2 Boron containing perylene monoimides, a process for their production, their use as building blocks for the production of perylene monoimide derivatives, monoimide derivatives and their use in dye-sensitized solar cells BASF SE (DE) 2014-08-26 US disclosed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US disclosed
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 US disclosed
US-20110203649-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-08-25 US disclosed
WO-2011101810-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-08-25 WO disclosed
US-20110104306-A1 NOVEL COMPOSITIONS AND METHODS FOR THE IDENTIFICATION, ASSESSMENT, PREVENTION AND THERAPY OF HUMAN CANCERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20110021505-A1 Use of sulfonyl-substituted 2-sulfonylaminobenzoic acid N-phenylamides in the treatment of pain SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-27 US disclosed
US-7871775-B2 Compositions and methods for the identification, assessment, prevention and therapy of human cancers MILLENNIUM PHARMACEUTICALS, INC (US) 2011-01-18 US disclosed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO disclosed
WO-1997011951-A1 FUNGICIDES ZENECA LIMITED (GB) 1997-04-03 WO 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 (6 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-20110203649-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS ICMT, EPCAM, INF2 IMPDH2 472/4885ADORA2A 4364/4885ADORA1 4692/4885
US-20110021505-A1 Use of sulfonyl-substituted 2-sulfonylaminobenzoic acid N-phenylamides in the treatment of pain SCN1A, SCN2A, CACNA1A IMPDH2 3491/4885ADORA2A 326/4885ADORA1 172/4885
US-20110104306-A1 NOVEL COMPOSITIONS AND METHODS FOR THE IDENTIFICATION, ASSESSMENT, PREVENTION AND THERAPY OF HUMAN CANCERS TSG101, MKI67, TP53 IMPDH2 1098/4885ADORA2A 3639/4885ADORA1 4034/4885
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS PPOX, JUP, CRY2 IMPDH2 1333/4885ADORA2A 1894/4885ADORA1 2989/4885
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 IMPDH2 4105/4885ADORA2A 323/4885ADORA1 1081/4885
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B IMPDH2 2808/4885ADORA2A 1251/4885ADORA1 1927/4885

“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.