SCHEMBL10245951

SCHEMBL10245951

COc1cc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc(CO)c1CO

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.81
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
CHRM1 P11229 1/20 0.60
SLC6A2 P23975 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHEK1 O14757 3/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL20893167 0.90 SIRT1 (0.88) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL1302286 0.90 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624433 0.88 SIRT1 (0.85) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL14654576 0.88 SIRT1 (0.84) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740381 0.85 SIRT1 (0.80) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624781 0.84 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740426 0.84 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740431 0.83 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624783 0.83 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624513 0.83 SIRT1 (0.87) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855235-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2018-01-02 US disclosed
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2017-11-02 US disclosed
US-9682053-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2016-11-24 US disclosed
US-9351967-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2016-05-31 US disclosed
US-20160113915-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2016-04-28 US disclosed
US-20150342914-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2015-12-03 US disclosed
US-9198883-B1 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2015-12-01 US disclosed
US-9072692-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2015-07-07 US disclosed
US-20140148488-A1 Compositions and Methods for Modulating Metabolic Pathways NUSIRT SCIENCES, INC. (US) 2014-05-29 US disclosed
US-8623924-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2014-01-07 US disclosed
US-20130017283-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUSIRT SCIENCES, INC. 2013-01-17 US disclosed
US-20130017284-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUSIRT SCIENCES, INC. 2013-01-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20140148488-A1 Compositions and Methods for Modulating Metabolic Pathways PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885
US-20160113915-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885
US-20130017283-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885
US-20130017284-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885
US-20150342914-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 SIRT1 1/4885CHRM2 4269/4885ADRA2A 3932/4885
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885
US-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB SIRT1 5/4885CHRM2 4362/4885ADRA2A 3163/4885

“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.