SCHEMBL108218

SCHEMBL108218

O=C(NCc1ccc(O)c(O)c1)Nc1ccc(O)c(O)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 8/20 0.78
ERCC4 Q92889 8/20 0.78
ARG1 P05089 1/20 0.59
LCK P06239 1/20 0.55
NPC1 O15118 2/20 0.54
MTOR P42345 2/20 0.51
PIM1 P11309 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
TRPV1 Q8NER1 1/20 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
SCHEMBL13984317 0.86 ERCC1 (0.60) ERCC1ERCC4NPC1MTORSMN1; SMN2
SCHEMBL175299 0.86 ERCC1 (0.66) ERCC1ERCC4ARG1LCKTRPV1
SCHEMBL107176 0.84 MAPT (0.62) ERCC1ERCC4SMN1; SMN2MEN1KMT2A
SCHEMBL6296156 0.83 ERCC1 (0.67) ERCC1ERCC4NPC1SMN1; SMN2RAB9A
SCHEMBL109020 0.80 ALOX15 (0.66) ERCC1ERCC4PIM1RAB9AMAPT
SCHEMBL107288 0.78 ERCC1 (0.66) ERCC1ERCC4ARG1TRPV1
SCHEMBL21776629 0.77 RAB9A (0.63) ERCC1ERCC4NPC1MTORSMN1; SMN2
SCHEMBL138689 0.77 MAPT (0.66) ERCC1ERCC4SMN1; SMN2MEN1KMT2A
SCHEMBL14423988 0.77 MAPT (0.60) ERCC1ERCC4RAB9AMEN1KMT2A
SCHEMBL108018 0.76 BCHE (0.63) ERCC1ERCC4ARG1POLBMAPT

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 113 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 ERCC1 4179/4885ERCC4 3894/4885ARG1 4857/4885
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PSEN2, PSEN1, MAPT ERCC1 3816/4885ERCC4 3592/4885ARG1 1956/4885
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies IAPP, SNCA, BACE2 ERCC1 4570/4885ERCC4 4543/4885ARG1 3221/4885
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 ERCC1 3561/4885ERCC4 4660/4885ARG1 830/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 ERCC1 2754/4885ERCC4 3932/4885ARG1 521/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP ERCC1 4216/4885ERCC4 4094/4885ARG1 4385/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT ERCC1 2635/4885ERCC4 2782/4885ARG1 4732/4885
US-20090143374-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis APP, BACE1, BACE2 ERCC1 4174/4885ERCC4 4361/4885ARG1 3472/4885
US-20110015272-A1 Sirtuin 1 and the Treatment of Neurodegenerative Diseases SIRT1, SIRT3, SIRT2 ERCC1 3834/4885ERCC4 3774/4885ARG1 1716/4885

“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.