SCHEMBL5043496

SCHEMBL5043496

COC(=O)c1cc(N=O)cc(-c2nc3ncccc3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 5/20 0.49
RXFP1 Q9HBX9 2/20 0.49
SIRT1 Q96EB6 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13039405 0.86 SMN1; SMN2 (0.51) MAPTTP53POLBRXFP1ALDH1A1
SCHEMBL219092 0.81 RAB9A (0.49) MAPTTP53POLBRXFP1SIRT1
SCHEMBL220845 0.76 SIRT1 (0.78) MAPTTP53POLBRXFP1SIRT1
SCHEMBL219613 0.70 SMN1; SMN2 (0.69) MAPTTP53POLBSIRT1ALDH1A1
SCHEMBL11953297 0.70 NPC1 (0.62) MAPTTP53POLBRXFP1ALDH1A1
SCHEMBL19391381 0.70 RAB9A (0.62) MAPTTP53POLBRXFP1ALDH1A1
SCHEMBL3928719 0.70 MAPT (0.60) MAPTTP53POLBRXFP1SIRT1
SCHEMBL2624412 0.69 NPC1 (0.57) MAPTTP53POLBRXFP1SIRT1
SCHEMBL11648658 0.69 NPC1 (0.65) MAPTTP53POLBRXFP1ALDH1A1
SCHEMBL20897875 0.69 MAPT (0.54) MAPTTP53POLBRXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-7855289-B2 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) 2010-12-21 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 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 (1 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 MAPT 625/4885TP53 582/4885POLB 1951/4885

“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.