SCHEMBL518401

SCHEMBL518401

O=C(Nc1cccc(O)c1)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
MGLL Q99685 2/20 0.61
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.57
GFER P55789 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54

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
SCHEMBL2383287 0.93 NPSR1 (0.69) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL1720856 0.90 MGLL (0.56) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL28859905 0.85 ALDH1A1 (0.60) SMN1; SMN2HPGDUSP2LMNAMGLL
SCHEMBL4230443 0.82 DDX3X (0.65) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL518400 0.82 GAA (0.64) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL10113273 0.82 NPY5R (0.53) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL10114063 0.82 GRIA2 (0.53) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL13203821 0.82 NPY5R (0.53) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL23109077 0.81 MGLL (0.64) GAASMN1; SMN2HPGDUSP2LMNA
SCHEMBL12160117 0.81 MAPK1 (0.72) GAASMN1; SMN2HPGDUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2016-08-11 US disclosed
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
US-20150087673-A1 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-03-26 US disclosed
US-8987303-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-8980921-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130267702-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
CN-101370812-A Fused heterocyclic compound TAKEDA PHARMACEUTICAL (JP) 2009-02-18 CN disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed
US-3979202-A Meta-bifunctional benzenes and herbicidal compositions MONSANTO COMPANY (US) 1976-09-07 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 (9 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-20150087673-A1 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS PRKAG3, PRKAG1, PRKAG2 GAA 2157/4885SMN1; SMN2 4765/4885HPGD 372/4885
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 GAA 1662/4885SMN1; SMN2 2195/4885HPGD 642/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885
US-20130267702-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 GAA 886/4885SMN1; SMN2 2965/4885HPGD 885/4885

“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.