SCHEMBL108112

SCHEMBL108112

O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.72
CA2 P00918 2/20 0.72
CA9 Q16790 2/20 0.72
CA7 P43166 1/20 0.72
CA14 Q9ULX7 1/20 0.72
PTGS2 P35354 1/20 0.67
JAK3 P52333 1/20 0.67
MAPT P10636 3/20 0.66
HSD17B10 Q99714 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HIF1A Q16665 2/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
PTGS1 P23219 1/20 0.66
BLM P54132 1/20 0.66
MEN1 O00255 2/20 0.63
GAA P10253 2/20 0.63
KMT2A Q03164 2/20 0.63
MYC P01106 1/20 0.62

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
SCHEMBL16417857 0.92 CA1 (0.69) CA1CA2CA9CA7CA14
SCHEMBL7709592 0.90 MEN1 (0.80) CA1CA2CA9CA7CA14
SCHEMBL22773358 0.88 CA1 (0.69) CA1CA2CA9CA7CA14
SCHEMBL17899787 0.88 CA1 (0.69) CA1CA2CA9CA7CA14
SCHEMBL30668181 0.87 MEN1 (0.82) CA1CA2CA9CA7CA14
SCHEMBL16091708 0.85 MEN1 (0.74) CA1CA2CA9CA7CA14
SCHEMBL28392508 0.84 CA1 (0.65) CA1CA2CA9CA7CA14
SCHEMBL1827315 0.84 CA1 (0.57) CA1CA2CA9CA7CA14
SCHEMBL10117471 0.83 ALDH1A1 (0.65) CA1CA2CA9CA7CA14
SCHEMBL107157 0.83 ERCC1 (0.76) CA1CA2CA9CA7CA14

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 112 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-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 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 CA1 4536/4885CA2 4193/4885CA9 4594/4885
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PSEN2, PSEN1, MAPT CA1 2153/4885CA2 2485/4885CA9 4189/4885
US-20060199838-A1 Substituted N-aryl benzamides and related compounds for treatment of amyloid diseases and synucleinopathies IAPP, SNCA, BACE2 CA1 4580/4885CA2 2403/4885CA9 3936/4885
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 CA1 1528/4885CA2 3400/4885CA9 4331/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 CA1 1245/4885CA2 2891/4885CA9 4122/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP CA1 3585/4885CA2 3541/4885CA9 3093/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT CA1 4673/4885CA2 4585/4885CA9 4646/4885
US-20090143374-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis APP, BACE1, BACE2 CA1 3571/4885CA2 4596/4885CA9 4217/4885
US-20110015272-A1 Sirtuin 1 and the Treatment of Neurodegenerative Diseases SIRT1, SIRT3, SIRT2 CA1 3610/4885CA2 4275/4885CA9 4855/4885

“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.