SCHEMBL1238947

SCHEMBL1238947

O=C1NCCSc2ccc(O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.61
PRKD1 Q15139 6/20 0.50
PRKD2 Q9BZL6 2/20 0.50
PRKD3 O94806 1/20 0.50
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ESR1 P03372 1/20 0.37
UGT1A1 P22309 1/20 0.37
ESR2 Q92731 1/20 0.37
PBRM1 Q86U86 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 2/20 0.36
VHL P40337 1/20 0.36
ELOC Q15369 1/20 0.36
ELOB Q15370 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1238521 0.87 PRKD1 (0.50) RYR2PRKD1PRKD2PRKD3ALDH1A1
SCHEMBL2600209 0.80 RYR2 (0.66) RYR2ALDH1A1LMNAMEN1GAA
SCHEMBL9636752 0.76 RYR2 (0.61) RYR2PRKD1PRKD2PRKD3ALDH1A1
SCHEMBL24460532 0.76 PARP1 (0.57) RYR2MEN1KMT2APARP1PARP10
SCHEMBL629534 0.76 RYR2 (1.00) RYR2PRKD1ALDH1A1MAOAMAOB
SCHEMBL5850195 0.75 RYR2 (0.55) RYR2ALDH1A1MEN1GAAKMT2A
SCHEMBL8038619 0.75 MEN1 (0.53) RYR2PRKD1PRKD2PRKD3ALDH1A1
SCHEMBL9636480 0.75 RYR2 (0.56) RYR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL17892772 0.74 RYR2 (0.84) RYR2PRKD1ALDH1A1MAOAMAOB
SCHEMBL6592045 0.74 VHL (0.64) ALDH1A1LMNAMAOAMAOBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240547-A1 NOVEL CALCIUM MODULATORS Myotherix Inc. (US) 2017-11-08 EP 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-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 US disclosed
US-8822453-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-2746272-A1 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-25 EP disclosed
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
EP-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 WO 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 (4 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-20160207893-A1 NOVEL CALCIUM MODULATORS CACNA1E, CASR, CACNA1D RYR2 17/4885PRKD1 601/4885PRKD2 212/4885
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 RYR2 52/4885PRKD1 2199/4885PRKD2 1558/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 RYR2 52/4885PRKD1 2199/4885PRKD2 1558/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 RYR2 52/4885PRKD1 2199/4885PRKD2 1558/4885

“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.