SCHEMBL245294

SCHEMBL245294

CCOC(=O)c1sc(N2CCN(CCc3ccccc3)C2=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HDAC1 Q13547 1/20 0.45
SCD O00767 2/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NFKB1 P19838 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL244537 0.90 SCD (0.51) POLBHDAC1SCDMAPTSMN1; SMN2
SCHEMBL243817 0.88 HDAC1 (0.49) GAAPOLBHDAC1SCDNPC1
SCHEMBL243891 0.86 NPC1 (0.42) GAAMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL244462 0.85 ALOX15 (0.41) GAAMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL242645 0.84 MAPT (0.47) GAASCDMAPTSMN1; SMN2NPC1
SCHEMBL241579 0.84 SCD (0.56) GAAPOLBTSHRHDAC1SCD
SCHEMBL4565114 0.83 TDP1 (0.40) GAATSHRMAPTSMN1; SMN2NPC1
SCHEMBL14047636 0.80 SCD (0.47) GAAHDAC1SCDMAPTSMN1; SMN2
SCHEMBL4565112 0.80 MAPT (0.42) GAAPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL245208 0.80 SCD (0.64) GAATSHRSCDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 GAA 610/4885POLB 2057/4885TSHR 2958/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 GAA 556/4885POLB 2337/4885TSHR 4191/4885

“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.