SCHEMBL992832

SCHEMBL992832

O=C(O)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
TSHR P16473 2/20 0.56
ALOX15 P16050 2/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 11/20 0.55
NPC1 O15118 11/20 0.55
TP53 P04637 1/20 0.55
SORD Q00796 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL992629 0.79 SCD (0.57)
SCHEMBL18711482 0.74 NPC1 (0.74) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL994564 0.73 HCAR2 (0.54) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL1046444 0.73 HCAR2 (0.54) MAPTSORD
SCHEMBL2072963 0.73 RAB9A (0.71) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL24937772 0.72 NPC1 (0.64) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL994567 0.72 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL8526236 0.72 RAB9A (0.73) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL24986857 0.71 RAB9A (0.67) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL30164059 0.71 RAB9A (0.67) SMN1; SMN2MAPTLMNAALDH1A1HTT

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 11 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-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 SMN1; SMN2 1012/4885MAPT 4495/4885LMNA 657/4885
US-20090306090-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FADS2 SMN1; SMN2 1189/4885MAPT 4437/4885LMNA 434/4885

“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.