SCHEMBL107957

SCHEMBL107957

Oc1ccc(CNCc2ccc(O)c(O)c2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.63
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
ALOX15 P16050 4/20 0.56
IGF1R P08069 1/20 0.56
TRPA1 O75762 1/20 0.56
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ALOX5 P09917 1/20 0.54
GAA P10253 1/20 0.54
BACE1 P56817 1/20 0.54
ERCC1 P07992 3/20 0.53
ERCC4 Q92889 3/20 0.53
ALPL P05186 1/20 0.53
ALPG P10696 1/20 0.53
PLAA Q9Y263 1/20 0.53
TP53 P04637 3/20 0.52

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
SCHEMBL4788008 0.88 ARG1 (0.52) ARG1CA1CA2CA4CA6
SCHEMBL12471961 0.87 TRPA1 (0.59) ARG1CA1CA2CA4CA6
Bromide SCHEMBL30912126 0.85 TRPA1 (0.57) ARG1CA1CA2CA4CA6
SCHEMBL107292 0.85 MAPT (0.63) ARG1CA1CA2CA4CA6
SCHEMBL13657416 0.83 TRPA1 (0.55) ARG1CA1CA2CA4CA6
SCHEMBL13717268 0.83 ALOX15 (0.57) ARG1CA1CA2CA4CA6
SCHEMBL17065239 0.83 ARG1 (0.61) ARG1CA1CA2CA4CA6
SCHEMBL8297694 0.83 ARG1 (0.61) ARG1CA1CA2CA4CA6
SCHEMBL20883513 0.82 ARG1 (0.50) ARG1CA1CA2CA4CA6
SCHEMBL912290 0.82 ARG1 (0.50) ARG1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US claimed
US-8227643-B2 Sirtuin 1 and the treatment of neurodegenerative diseases PROTEOTECH, INC. (US) 2012-07-24 US claimed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 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
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 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
EP-1511710-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER S DISEASE, TYPE 2 DIABETES, AND PARKINSON S DISEASE Proteotech, Inc. (US) 2005-03-09 EP 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
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO 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 (9 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 ARG1 4857/4885CA1 4536/4885CA2 4193/4885
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PSEN2, PSEN1, MAPT ARG1 1956/4885CA1 2153/4885CA2 2485/4885
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies IAPP, SNCA, BACE2 ARG1 3221/4885CA1 4580/4885CA2 2403/4885
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 ARG1 830/4885CA1 1528/4885CA2 3400/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 ARG1 521/4885CA1 1245/4885CA2 2891/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP ARG1 4385/4885CA1 3585/4885CA2 3541/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT ARG1 4732/4885CA1 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 ARG1 3472/4885CA1 3571/4885CA2 4596/4885
US-20110015272-A1 Sirtuin 1 and the Treatment of Neurodegenerative Diseases SIRT1, SIRT3, SIRT2 ARG1 1716/4885CA1 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.