SCHEMBL244462

SCHEMBL244462

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 8/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
HPGD P15428 5/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
KDM4E B2RXH2 3/20 0.37
PDE5A O76074 1/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 2/20 0.37
PKM P14618 1/20 0.37
STAT1 P42224 1/20 0.37

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
SCHEMBL245294 0.85 GAA (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL241792 0.84 ALOX15 (0.44) ALOX15TP53SMN1; SMN2NPC1RAB9A
SCHEMBL4565112 0.83 MAPT (0.42) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL243891 0.83 NPC1 (0.42) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL243799 0.82 NPC1 (0.38) ALOX15TP53SMN1; SMN2NPC1RAB9A
SCHEMBL4565114 0.82 TDP1 (0.40) ALOX15SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL244537 0.82 SCD (0.51) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL14047636 0.81 SCD (0.47) ALOX15TP53SMN1; SMN2NPC1RAB9A
SCHEMBL243826 0.81 ALDH1A1 (0.42) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL242645 0.81 MAPT (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 15 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
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 ALOX15 184/4885TP53 4110/4885SMN1; SMN2 3878/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALOX15 110/4885TP53 4010/4885SMN1; 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.