SCHEMBL25337

SCHEMBL25337

COC(=O)c1cc(N)n(C(=O)OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAOB P27338 3/20 0.43
ADORA2A P29274 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAOA P21397 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL24917 0.81 ALDH1A1 (0.44) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL25753536 0.78 TDP1 (0.51) MAPTKDM4EMAOBADORA2ARAB9A
SCHEMBL19492477 0.76 TDP1 (0.47) MAPTKDM4EMAOBADORA2ASMN1; SMN2
SCHEMBL16806475 0.76 CARM1 (0.42) MAPTKDM4EMAOBADORA2ASMN1; SMN2
SCHEMBL24696357 0.74 MAPT (0.45) MAPTKDM4ERAB9ANPC1LMNA
SCHEMBL4038261 0.73 NR1H2 (0.36) KDM4ESMN1; SMN2HPGDALDH1A1PKM
SCHEMBL10295030 0.73 MAPT (0.42) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL24423706 0.73 ALDH1A1 (0.47) MAPTKDM4EMAOBADORA2ASMN1; SMN2
SCHEMBL27415197 0.72 SMN1; SMN2 (0.55) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22826520 0.72 ALDH1A1 (0.44) MAPTSMN1; SMN2RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919496-B2 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester; metabolic disorders type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia and metabolic syndrome; cardiovascular disorders XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed
EP-2289510-A1 Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes Xenon Pharmaceuticals Inc. (CA) 2011-03-02 EP disclosed
US-20080108629-A1 Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes XENON PHARMACEUTICALS INC. (CA) 2008-05-08 US disclosed
EP-1830837-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC. (CA) 2007-09-12 EP disclosed
WO-2006034315-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC. (CA) 2006-03-30 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 (1 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-20080108629-A1 Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes SCD, SCD5, ECHS1 MAPT 4243/4885KDM4E 667/4885MAOB 863/4885

“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.