SCHEMBL26252

SCHEMBL26252

O=C(c1ccccc1C(F)(F)F)N(CCCl)CCCl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
SLC6A2 P23975 7/20 0.46
SLC6A4 P31645 7/20 0.46
SLC6A3 Q01959 4/20 0.44
CHRM4 P08173 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
CNR2 P34972 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3558072 0.81 LMNA (0.45) LMNAGAATP53SLC6A2SLC6A4
SCHEMBL4469871 0.80 TSHR (0.50) LMNAGAATP53SLC6A2SLC6A4
SCHEMBL15129453 0.78 LMNA (0.55) LMNAGAASLC6A2SLC6A4SLC6A3
SCHEMBL16487401 0.74 SMN1; SMN2 (0.58) LMNAGAASLC6A2SLC6A4SLC6A3
SCHEMBL5358195 0.74 CTNNB1 (0.57) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL25214391 0.71 LMNA (0.56) LMNAGAASLC6A2SLC6A4SLC6A3
SCHEMBL24201 0.71 LMNA (0.60) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL5660835 0.71 CTNNB1 (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL746794 0.70 LMNA (0.64) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL28634751 0.70 LMNA (0.64) LMNAGAACTNNB1WNT3ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830837-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC (CA) 2013-09-04 EP disclosed
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

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 LMNA 646/4885GAA 413/4885TP53 4405/4885

“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.