SCHEMBL24917

SCHEMBL24917

COC(=O)c1cc([N+](=O)[O-])n(C(=O)OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE1C Q14123 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL25337 0.81 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL25753536 0.74 TDP1 (0.51) ALDH1A1KMT2AMAPTKDM4EELANE
SCHEMBL19492477 0.73 TDP1 (0.47) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL5813872 0.71 PDE4A (0.41) ALDH1A1KMT2AMAPTKDM4EF2
SCHEMBL610407 0.70 SMN1; SMN2 (0.39) ALDH1A1KMT2AMAPTKDM4EF2
SCHEMBL24423706 0.69 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL11712185 0.69 KMT2A (0.52) ALDH1A1KMT2AGAALMNAMEN1
SCHEMBL27415197 0.69 SMN1; SMN2 (0.55) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL22826520 0.69 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTGAARAB9A
SCHEMBL28416025 0.69 MDM2 (0.46) ALDH1A1KMT2ACTRB1RAB9AMEN1

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 6 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
CN-101083982-A Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes XENON PHARMACEUTICALS INC (CA) 2007-12-05 CN 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 ALDH1A1 1346/4885KMT2A 989/4885MAPT 4243/4885

“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.