SCHEMBL1046444

SCHEMBL1046444

O=C(O)c1ccc(N2CCN(c3nsc4ccccc34)CC2)nn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
SORD Q00796 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
DRD2 P14416 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
DRD3 P35462 2/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL992966 0.80 SCD (0.58) DRD2HTR1AHTR2ADRD3
SCHEMBL27571765 0.78 HCAR2 (0.65) HCAR2KDM4EMAPTDRD2HTR1A
SCHEMBL993819 0.76 HRH4 (0.54) SORD
SCHEMBL11637734 0.74 KDM4E (0.65) HCAR2SORDKDM4EMAPTDRD2
SCHEMBL20021209 0.74 CYP1A2 (0.53)
SCHEMBL992832 0.73 SMN1; SMN2 (0.56) SORDMAPT
SCHEMBL24937833 0.72 HCAR2 (0.56) HCAR2SORDKDM4EMAPT
SCHEMBL994567 0.72 ALDH1A1 (0.53) KDM4EHTR1A
SCHEMBL4558892 0.72 KDM4E (0.71) SORDKDM4EMAPTDRD2HTR1A
SCHEMBL22955581 0.72 KDM4E (0.61) HCAR2SORDKDM4EMAPTDRD2

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-1804799-B1 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2013-08-21 EP claimed
US-7592343-B2 Pyridazine-piperazine compounds and their use as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2009-09-22 US claimed
US-20080125434-A1 Heterocyclic Derivatives and Their Use as Strearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-05-29 US claimed
EP-1804799-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-07-11 EP claimed
WO-2006101521-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-09-28 WO claimed
EP-1804799-B1 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2013-08-21 EP disclosed
US-8026360-B2 Substituted pyridazines as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2011-09-27 US disclosed
EP-2269610-A2 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2011-01-05 EP disclosed
US-20090306090-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-12-10 US disclosed
US-7592343-B2 Pyridazine-piperazine compounds and their use as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2009-09-22 US disclosed
US-20080125434-A1 Heterocyclic Derivatives and Their Use as Strearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-05-29 US disclosed
EP-1804799-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-07-11 EP disclosed
WO-2006101521-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-09-28 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 (2 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-20080125434-A1 Heterocyclic Derivatives and Their Use as Strearoyl-Coa Desaturase Inhibitors SCD, SCD5, NR1H2 HCAR2 370/4885SORD 395/4885KDM4E 901/4885
US-20090306090-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FADS2 HCAR2 226/4885SORD 732/4885KDM4E 516/4885

“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.