SCHEMBL107974

SCHEMBL107974

CN(CCN(C)Cc1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
HIF1A Q16665 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP3A4 P08684 3/20 0.50
NFKB1 P19838 3/20 0.50
CYP2D6 P10635 3/20 0.50
DRD2 P14416 3/20 0.50
ADRA1A P35348 3/20 0.50
DRD3 P35462 3/20 0.50
TSHR P16473 2/20 0.50
DRD1 P21728 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1B P35368 2/20 0.50
KDM4E B2RXH2 5/20 0.49

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
SCHEMBL13886168 0.90 DRD1 (0.59) TRPA1CA1CA2CA4CA6
SCHEMBL8052751 0.90 KDM4E (0.52) TRPA1CA1CA2CA4CA6
SCHEMBL14067081 0.86 TRPA1 (0.52) TRPA1CA1CA2CA4CA6
SCHEMBL28945714 0.83 TRPA1 (0.58) TRPA1CA1CA2CA4CA6
SCHEMBL7544044 0.81 IGF1R (0.57) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL3157661 0.79 KDM4E (0.51) TRPA1HIF1AHSD17B10CYP3A4NFKB1
SCHEMBL10301530 0.79 HIF1A (0.65) TRPA1CA1CA2CA4CA6
SCHEMBL12980193 0.79 TRPA1 (0.54) TRPA1CA1CA2CA4CA6
SCHEMBL139183 0.79 HIF1A (0.50) TRPA1CA1CA2CA4CA6
SCHEMBL108110 0.78 CA1 (0.61) TRPA1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227643-B2 Sirtuin 1 and the treatment of neurodegenerative diseases PROTEOTECH, INC. (US) 2012-07-24 US claimed
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PROTAMED, INC. 2011-06-16 US claimed
US-20110015272-A1 Sirtuin 1 and the Treatment of Neurodegenerative Diseases PROTEOTECH INC. 2011-01-20 US claimed
US-7714170-B2 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH, INC. (US) 2010-05-11 US claimed
US-7601876-B2 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTEOTECH, INC. (US) 2009-10-13 US claimed
US-20090143374-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTAMED, INC. 2009-06-04 US claimed
WO-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO claimed
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO claimed
WO-2008154083-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES PROTEO TECH INC. (US) 2008-12-18 WO claimed
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies PROTEOTECH, INC. 2007-11-29 US claimed
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTAMED, INC. 2007-09-27 US claimed
EP-1751097-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES Proteotech, Inc. (US) 2007-02-14 EP claimed
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies PROTAMED, INC. 2006-09-07 US claimed
WO-2005113489-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH, INC. (US) 2005-12-01 WO claimed
US-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTAMED, INC. 2004-07-01 US claimed
US-20170008838-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS MODULATORS OF TAU AGGREGATION AND ALLEVIATION OF TAUOPATHIES PROTAMED INC (US) 2017-01-12 US disclosed
US-9469605-B2 Compounds and compositions for use a modulators of tau aggregation and alleviation of tauopathies PROTAMED, INC. (US) 2016-10-18 US disclosed
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies PROTAMED, INC. 2006-09-07 US disclosed
WO-2005113489-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH, INC. (US) 2005-12-01 WO disclosed
US-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTAMED, INC. 2004-07-01 US 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 (8 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-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis IAPP, SNCA, IDE TRPA1 4306/4885CA1 4536/4885CA2 4193/4885
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PSEN2, PSEN1, MAPT TRPA1 3719/4885CA1 2153/4885CA2 2485/4885
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies IAPP, SNCA, BACE2 TRPA1 851/4885CA1 4580/4885CA2 2403/4885
US-20170008838-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS MODULATORS OF TAU AGGREGATION AND ALLEVIATION OF TAUOPATHIES PSEN2, PSEN1, MAPT TRPA1 3719/4885CA1 2153/4885CA2 2485/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP TRPA1 4207/4885CA1 3585/4885CA2 3541/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT TRPA1 3948/4885CA1 4673/4885CA2 4585/4885
US-20090143374-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis APP, BACE1, BACE2 TRPA1 4636/4885CA1 3571/4885CA2 4596/4885
US-20110015272-A1 Sirtuin 1 and the Treatment of Neurodegenerative Diseases SIRT1, SIRT3, SIRT2 TRPA1 4106/4885CA1 3610/4885CA2 4275/4885

“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.