SCHEMBL243891

SCHEMBL243891

CCOC(=O)c1sc(N2CCN(CCOc3ccccc3)C2=O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
DHODH Q02127 1/20 0.39
HSD17B10 Q99714 2/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL4565112 0.92 MAPT (0.42) RAB9ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL243640 0.90 LMNA (0.47) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL4565114 0.89 TDP1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL245294 0.86 GAA (0.46) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL244537 0.84 SCD (0.51) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL244462 0.83 ALOX15 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL242645 0.82 MAPT (0.47) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL243826 0.80 ALDH1A1 (0.42) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL243799 0.80 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL242200 0.78 SCD (0.63) RAB9ASMN1; SMN2KDM4EMAPTALDH1A1

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 16 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
CN-101535303-B Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG 2012-07-18 CN 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
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 NPC1 242/4885RAB9A 3869/4885SMN1; SMN2 3878/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 NPC1 228/4885RAB9A 4305/4885SMN1; SMN2 3581/4885

“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.