SCHEMBL2624397

SCHEMBL2624397

CC(C)c1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.55
MAPT P10636 5/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 4/20 0.41
LMNA P02545 5/20 0.39
HTT P42858 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PAX8 Q06710 2/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL10045928 0.84 NPBWR1 (0.43) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL25579110 0.78 KDM4E (0.41) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL266770 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL26331616 0.77 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL12316240 0.76 HIF1A (0.41) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL8251041 0.76 MAPK1 (0.51) SMN1; SMN2MAPTKMT2AMEN1TDP1
SCHEMBL820782 0.75 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL17321467 0.75 MAPT (0.72) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL11193969 0.75 MAPK1 (0.42) SMN1; SMN2MAPTALDH1A1KDM4ELMNA
SCHEMBL15128244 0.75 SMN1; SMN2 (0.59) SMN1; SMN2MAPTPOLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-9796694-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP 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-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 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 (12 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-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SMN1; SMN2 1572/4885MAPT 625/4885POLB 1951/4885
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 SMN1; SMN2 1160/4885MAPT 2062/4885POLB 2083/4885
US-20080312319-A1 Modulation of Bacterial Quorum Sensing with Synthetic Ligands AHCYL1, EBPL, AIP SMN1; SMN2 4883/4885MAPT 4822/4885POLB 4816/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B SMN1; SMN2 981/4885MAPT 1946/4885POLB 201/4885
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION CRY1, PER2, SIRT1 SMN1; SMN2 4466/4885MAPT 1320/4885POLB 1344/4885
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 SMN1; SMN2 2663/4885MAPT 445/4885POLB 1364/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP SMN1; SMN2 3714/4885MAPT 2188/4885POLB 2574/4885
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 SMN1; SMN2 1245/4885MAPT 2184/4885POLB 2118/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1572/4885MAPT 625/4885POLB 1951/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1572/4885MAPT 625/4885POLB 1951/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SMN1; SMN2 2106/4885MAPT 744/4885POLB 2253/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SMN1; SMN2 2106/4885MAPT 744/4885POLB 2253/4885

“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.