SCHEMBL2624735

SCHEMBL2624735

COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)n2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOXO1 Q12778 3/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HPSE Q9Y251 8/20 0.55
▸ POLB P06746 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ COMT P21964 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 1/20 0.49

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
SCHEMBL2740088 0.92 NPC1 (0.67) FOXO1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2740087 0.86 USP2 (0.67) FOXO1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2740089 0.85 RAB9A (0.68) FOXO1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2624736 0.83 FOXO1 (0.70) FOXO1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6246003 0.82 HPSE (0.80) NPC1RAB9AHPSEPOLBKMT2A
SCHEMBL2739951 0.81 NPC1 (0.61) FOXO1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL14614722 0.80 FOXO1 (0.54) FOXO1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL15045374 0.77 MEN1 (0.69) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL22489169 0.75 NPC1 (0.66) FOXO1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL25426606 0.74 FOXO1 (0.65) FOXO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585907-B2 Methods and compositions for modulating Tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2017-03-07 — — US disclosed
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS THE J. DAVID GLADSTONE INSTITUTES 2016-01-21 — — US disclosed
US-9040521-B2 Methods and compositions for modulating tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2015-05-26 — — US disclosed
US-8748464-B2 Use of SIRT1 activators or inhibitors to modulate an immune response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-06-10 — — US disclosed
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-01-30 — — US disclosed
US-20120225864-A1 Methods and Compositions for Modulating Tau Levels THE J. DAVID GLADSTONE INSTITUTES 2012-09-06 — — US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 — — 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
US-20100330114-A1 Use of SIRT1 Activators or Inhibitors to Modulate an Immune Response NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 — — 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 (7 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 FOXO1 105/4885NPC1 3399/4885RAB9A 965/4885
US-20100330114-A1 Use of SIRT1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 FOXO1 58/4885NPC1 3045/4885RAB9A 2947/4885
US-20120225864-A1 Methods and Compositions for Modulating Tau Levels MAPT, NEFM, PSEN2 FOXO1 3615/4885NPC1 478/4885RAB9A 3541/4885
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 FOXO1 58/4885NPC1 3045/4885RAB9A 2947/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 FOXO1 105/4885NPC1 3399/4885RAB9A 965/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 FOXO1 105/4885NPC1 3399/4885RAB9A 965/4885
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS MAPT, NEFM, PSEN2 FOXO1 3615/4885NPC1 478/4885RAB9A 3541/4885

“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.

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