SCHEMBL517935

SCHEMBL517935

O=C(O)c1nccc(Br)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.55
ASPH Q12797 11/20 0.55
KDM8 Q8N371 11/20 0.55
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.39
MYC P01106 1/20 0.36
KDM6B O15054 1/20 0.35
TET3 O43151 1/20 0.35
KDM4A O75164 1/20 0.35
BBOX1 O75936 1/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL28589292 0.98 KDM4E (0.53) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL1711519 0.82 KDM4E (0.63) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL5818329 0.81 KDM4E (0.47) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL547943 0.81 KDM4E (0.68) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL27945025 0.81 KDM4E (0.44) KDM4EASPHKDM8ALDH1A1MAPT
Hydrochloric Acid SCHEMBL15303932 0.79 KDM4E (0.66) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL4443123 0.79 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL1137039 0.79 KDM4E (0.42) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL31211637 0.79 KDM4E (0.66) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL9851952 0.79 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1MAPT

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 29 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
EP-2598483-B1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS INC (US) 2020-07-29 EP 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
CN-103201267-B AMPK-activating heterocyclic compounds and methods of use thereof 里格尔药品股份有限公司 2016-08-17 CN disclosed
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2016-08-11 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 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-20130267701-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
WO-2013116491-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS AND METHODS FOR USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 WO disclosed
CN-103201267-A AMPK-activating heterocyclic compounds and methods of use thereof RIGEL PHARMACEUTICALS INC 2013-07-10 CN disclosed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012129013-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-09-27 WO disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO 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
US-7575837-B2 Colored curable composition, color filter and method for producing the same FUJIFILM CORPORATION (JP) 2009-08-18 US disclosed
US-20060257762-A1 Colored curable composition, color filter and method for producing the same FUJI PHOTO FILM CO., LTD. 2006-11-16 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-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 KDM4E 926/4885ASPH 2242/4885KDM8 980/4885
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 KDM4E 752/4885ASPH 2772/4885KDM8 1527/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 KDM4E 926/4885ASPH 2242/4885KDM8 980/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 KDM4E 926/4885ASPH 2242/4885KDM8 980/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 KDM4E 926/4885ASPH 2242/4885KDM8 980/4885
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 KDM4E 926/4885ASPH 2242/4885KDM8 980/4885
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 KDM4E 926/4885ASPH 2242/4885KDM8 980/4885

“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.