SCHEMBL1486740

SCHEMBL1486740

CCOP(=O)(Cc1ccc(NC(C)=O)cc1)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PPID Q08752 1/20 0.50
MAPT P10636 3/20 0.49
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPY5R Q15761 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL19331999 0.88 NPY5R (0.48) PPIDSMN1; SMN2NPY5RHPGDRAB9A
SCHEMBL13714950 0.86 NPY5R (0.44) KMT2AMEN1TDP1LMNACYP1A2
SCHEMBL491489 0.85 RXFP1 (0.47) KMT2AMEN1TDP1LMNACYP1A2
SCHEMBL3024941 0.84 ENPP2 (0.46) KMT2AMEN1MAPTSMN1; SMN2NPY5R
SCHEMBL5277253 0.84 NPY5R (0.43) MAPTNPY5RALDH1A1SRC
SCHEMBL5280572 0.82 ENPP2 (0.45) MAPTTSHRNPY5RHPGDALDH1A1
Hydrochloric Acid SCHEMBL3024939 0.82 ENPP2 (0.45) KMT2AMEN1MAPTSMN1; SMN2NPY5R
SCHEMBL491746 0.82 BTK (0.57) LMNANPY5R
SCHEMBL3014822 0.81 ENPP2 (0.50) NPY5R
SCHEMBL13003196 0.81 CYP17A1 (0.51) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362226-A1 Diagnostic method for neurodegenerative diseases based on measurement of SIRT1 levels or activity The President and Fellows of Harvard College (US) 2011-08-31 EP disclosed
EP-2289504-A2 SIRT1 modulators for manipulating cell/organism lifespan/stress response President and Fellows of Harvard College (US) 2011-03-02 EP disclosed
EP-2236131-A2 Compositions for manipulating the lifespan and stress response of cells and organisms President and Fellows of Harvard College (US) 2010-10-06 EP disclosed
US-20100035885-A1 COMPOSITIONS FOR MANIPULATING THE LIFESPAN AND STRESS RESPONSE OF CELLS AND ORGANISMS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-02-11 US disclosed
US-7544497-B2 Compositions for manipulating the lifespan and stress response of cells and organisms PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-09 US disclosed
EP-1863461-A2 SIRTUIN RELATED THERAPEUTICS AND DIAGNOSTICS FOR NEURODEGENERATIVE DISEASES The President and Fellows of Harvard College (US) 2007-12-12 EP disclosed
EP-1850840-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS Sirtris Pharmaceuticals, Inc. (US) 2007-11-07 EP disclosed
EP-1841415-A2 USE OF SIRTUIN-ACTIVATING COMPOUNDS FOR TREATING FLUSHING AND DRUG INDUCED WEIGHT GAIN Sirtris Pharmaceuticals, Inc. (US) 2007-10-10 EP disclosed
US-20060276416-A1 Methods and compositions for treating flushing and drug induced weight gain SIRTRIS PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRTRIS PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
WO-2006096780-A2 SIRTUIN RELATED THERAPEUTICS AND DIAGNOSTICS FOR NEURODEGENERATIVE DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-14 WO disclosed
WO-2006079021-A2 USE OF SIRTUIN-ACTIVATING COMPOUNDS FOR TREATING FLUSHING AND DRUG INDUCED WEIGHT GAIN SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
WO-2006076681-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
EP-1648437-A2 SIRT1 MODULATORS FOR MANIPULATING CELL/ORGANISM LIFESPAN/STRESS RESPONSE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-04-26 EP disclosed
US-20060084135-A1 Compositions for manipulating the lifespan and stress response of cells and organisms BIOMOL INTERNATIONAL, INC. 2006-04-20 US disclosed
US-20060025337-A1 Sirtuin related therapeutics and diagnostics for neurodegenerative diseases PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-02-02 US disclosed
US-20050136537-A1 Compositions for manipulating the lifespan and stress response of cells and organisms PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-06-23 US disclosed
US-20050096256-A1 Compositions for manipulating the lifespan and stress response of cells and organisms PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-05-05 US disclosed
WO-2005002672-A2 SIRT1 MODULATORS FOR MANIPULATING CELLS/ORGANISM LIFESPAN/STRESS RESPONSE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-01-13 WO disclosed
WO-2005002555-A2 SIRT1 MODULATORS FOR MANIPULATING CELL/ORGANISM LIFESPAN/STRESS RESPONSE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-01-13 WO 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 (5 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-20100035885-A1 COMPOSITIONS FOR MANIPULATING THE LIFESPAN AND STRESS RESPONSE OF CELLS AND ORGANISMS SIRT1, SIRT2, FOXO3 KMT2A 4334/4885MEN1 1594/4885TDP1 281/4885
US-20060025337-A1 Sirtuin related therapeutics and diagnostics for neurodegenerative diseases SIRT1, SIRT2, SIRT3 KMT2A 3681/4885MEN1 2563/4885TDP1 319/4885
US-20060276416-A1 Methods and compositions for treating flushing and drug induced weight gain SIRT2, SIRT1, SIRT7 KMT2A 153/4885MEN1 2086/4885TDP1 4563/4885
US-20050096256-A1 Compositions for manipulating the lifespan and stress response of cells and organisms SIRT1, SIRT2, FOXO3 KMT2A 4334/4885MEN1 1594/4885TDP1 281/4885
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRT2, SIRT1, SIRT3 KMT2A 1489/4885MEN1 739/4885TDP1 584/4885

“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.