SCHEMBL629534

SCHEMBL629534

COc1ccc2c(c1)C(=O)NCCS2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 6/20 1.00
CDK1 P06493 3/20 0.53
MAPKAPK2 P49137 3/20 0.53
PRKD1 Q15139 2/20 0.53
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GRM5 P41594 1/20 0.40
CDK2 P24941 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAP2K1 Q02750 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL17892772 0.91 RYR2 (0.84) RYR2CDK1MAPKAPK2PRKD1KCNH2
SCHEMBL14691928 0.88 RYR2 (0.78) RYR2CDK1MAPKAPK2PRKD1KCNH2
SCHEMBL2600209 0.80 RYR2 (0.66) RYR2KDM4EALDH1A1MAPTHPGD
SCHEMBL30804421 0.78 RYR2 (0.63) RYR2CDK1MAPKAPK2PRKD1KCNH2
SCHEMBL11283 0.76 KDM4E (0.77) RYR2KCNH2KDM4EHTTMAOA
SCHEMBL29596397 0.76 KDM4E (0.77) RYR2KCNH2KDM4EHTTMAOA
SCHEMBL1238947 0.76 RYR2 (0.61) RYR2CDK1MAPKAPK2PRKD1HTT
SCHEMBL9636752 0.76 RYR2 (0.61) RYR2CDK1MAPKAPK2PRKD1KCNH2
SCHEMBL7222447 0.74 KDM4E (0.63) RYR2KCNH2KDM4EHTTMAOA
SCHEMBL17892752 0.74 RYR2 (0.58) RYR2CDK1MAPKAPK2PRKD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230386615-A1 BINDING SITE IN TYPE 1 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-30 US disclosed
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-16 US disclosed
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-11-16 US disclosed
EP-3240547-A1 NOVEL CALCIUM MODULATORS Myotherix Inc. (US) 2017-11-08 EP disclosed
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 US disclosed
US-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 US disclosed
US-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 US disclosed
US-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 US disclosed
WO-2016109596-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. (US) 2016-07-07 WO disclosed
US-8933129-B2 Compounds and methods for modulating activity of calcium release channels STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2015-01-13 US disclosed
US-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-26 US disclosed
US-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-26 US disclosed
WO-2007024717-A2 AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYR RECEPTORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 WO disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US disclosed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US disclosed
US-20040229781-A1 Compounds and methods for treating and preventing exercise-induced cardiac arrhythmias THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-11-18 US disclosed
US-20040229781-A1 Compounds and methods for treating and preventing exercise-induced cardiac arrhythmias THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-11-18 US disclosed
EP-0565721-B1 1,4-BENZOTHIAZEPINE DERIVATIVE KANEKO NOBORU (JP) 1995-07-26 EP disclosed
US-5416066-A FOR THE PREVENTION OF MYOCARDIAL INFARCTION OR INHIBITING MYOCARDIAL NECROSIS KIRIN BREWERY CO., LTD. (JP) 1995-05-16 US disclosed
EP-0565721-A1 1,4-BENZOTHIAZEPINE DERIVATIVE KANEKO, Noboru (JP) 1993-10-20 EP 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 (6 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-20070173482-A1 Agents for preventing and treating disorders involving modulation of the RyR receptors RYR1, RYR2, ATP2A1 RYR2 2/4885CDK1 1840/4885MAPKAPK2 3456/4885
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 RYR2 1/4885CDK1 408/4885MAPKAPK2 2045/4885
US-20160207893-A1 NOVEL CALCIUM MODULATORS CACNA1E, CASR, CACNA1D RYR2 17/4885CDK1 1730/4885MAPKAPK2 3257/4885
US-20040229781-A1 Compounds and methods for treating and preventing exercise-induced cardiac arrhythmias RYR2, RYR1, FKBP4 RYR2 1/4885CDK1 2345/4885MAPKAPK2 2498/4885
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR RYR2 2/4885CDK1 585/4885MAPKAPK2 3727/4885
US-20230368862-A1 BINDING SITE IN TYPE 2 RYANODINE RECEPTOR RYR2, RYR1, ATP2A2 RYR2 1/4885CDK1 3991/4885MAPKAPK2 1998/4885

“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.