SCHEMBL243799

SCHEMBL243799

CCOC(=O)c1sc(N2CCN(CCO[Si](C)(C)C(C)(C)C)C2=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
PDE5A O76074 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
DHODH Q02127 5/20 0.36
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL244462 0.82 ALOX15 (0.41) NPC1RAB9ASMN1; SMN2HTTPDE5A
SCHEMBL4565112 0.80 MAPT (0.42) RAB9ASMN1; SMN2CASP7CASP6DHODH
SCHEMBL243891 0.80 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HTTDHODH
SCHEMBL4565114 0.79 TDP1 (0.40) NPC1RAB9ASMN1; SMN2ALOX15ALDH1A1
SCHEMBL243826 0.77 ALDH1A1 (0.42) SMN1; SMN2HTTALDH1A1MAPTMEN1
SCHEMBL245294 0.77 GAA (0.46) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL241792 0.77 ALOX15 (0.44) NPC1RAB9ASMN1; SMN2HTTPDE5A
SCHEMBL244537 0.75 SCD (0.51) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL14047636 0.74 SCD (0.47) NPC1RAB9ASMN1; SMN2HTTDHODH
SCHEMBL242785 0.73 SCD (0.56) NPC1RAB9ASMN1; SMN2ALOX15ALDH1A1

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 8 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-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-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

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.