SCHEMBL2760413

SCHEMBL2760413

Cc1ccc(-c2ccc(C)c(Cl)c2)o1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
MAPT P10636 4/20 0.50
HSD17B10 Q99714 1/20 0.50
GSK3B P49841 7/20 0.47
GSK3A P49840 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2709215 0.86 AHR (0.50) KDM4EMAPTHSD17B10GSK3BGSK3A
SCHEMBL13523222 0.81 KDM4E (0.58) KDM4EMAPTHSD17B10GSK3BGSK3A
SCHEMBL2624365 0.80 KDM4E (0.56) KDM4EMAPTHSD17B10GSK3BGSK3A
SCHEMBL2321202 0.78 KDM4E (0.58) KDM4EMAPTHSD17B10GSK3BGSK3A
SCHEMBL2321200 0.78 KDM4E (0.57) KDM4EMAPTHSD17B10GSK3BGSK3A
SCHEMBL3468665 0.77 ALDH1A1 (0.65) KDM4EMAPTGSK3BALDH1A1TDP1
SCHEMBL23197679 0.76 TDP1 (0.56) KDM4EMAPTHSD17B10GSK3BHPGD
SCHEMBL12259927 0.76 CYP3A4 (0.56) KDM4EMAPTALDH1A1TDP1CYP3A4
SCHEMBL2615713 0.75 ALDH1A1 (0.48) KDM4EMAPTHSD17B10HPGDALDH1A1
SCHEMBL17214829 0.74 GSK3B (0.49) KDM4EHSD17B10GSK3BHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-03 US disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110113498-A1 SIRT1 POLYMORPHIC VARIANTS AND METHODS OF USE THEREOF UNIVERSITY OF ZURICH (CH) 2011-05-12 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-20080249103-A1 Sirtuin polymorphisms and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (13 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 KDM4E 1599/4885MAPT 625/4885HSD17B10 1026/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1599/4885MAPT 625/4885HSD17B10 1026/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 KDM4E 1227/4885MAPT 2062/4885HSD17B10 1252/4885
US-20080249103-A1 Sirtuin polymorphisms and methods of use thereof SIRT1, SIRT3, SIRT2 KDM4E 1895/4885MAPT 3670/4885HSD17B10 357/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 KDM4E 3789/4885MAPT 4163/4885HSD17B10 2022/4885
US-20110113498-A1 SIRT1 POLYMORPHIC VARIANTS AND METHODS OF USE THEREOF SIRT1, SIRT3, SIRT7 KDM4E 1983/4885MAPT 3873/4885HSD17B10 1284/4885
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION CRY1, PER2, SIRT1 KDM4E 1212/4885MAPT 1320/4885HSD17B10 932/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 KDM4E 540/4885MAPT 445/4885HSD17B10 187/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL KDM4E 1971/4885MAPT 2391/4885HSD17B10 3741/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 KDM4E 1399/4885MAPT 2184/4885HSD17B10 1449/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 KDM4E 1599/4885MAPT 625/4885HSD17B10 1026/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1388/4885MAPT 744/4885HSD17B10 733/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1388/4885MAPT 744/4885HSD17B10 733/4885

“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.