SCHEMBL244601

SCHEMBL244601

CCOC(=O)c1sc(N2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
SCD O00767 5/20 0.42
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
MAPK1 P28482 2/20 0.38
HTR1A P08908 2/20 0.38
HDAC1 Q13547 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL14047636 0.88 SCD (0.47) MAPTLMNASMN1; SMN2SCDNPSR1
SCHEMBL242785 0.87 SCD (0.56) MAPTLMNATSHRSMN1; SMN2SCD
SCHEMBL244537 0.87 SCD (0.51) MAPTLMNASMN1; SMN2SCDNPSR1
SCHEMBL246376 0.85 HDAC1 (0.48) MAPTSCDALDH1A1KDM4EMEN1
SCHEMBL242938 0.80 MAPT (0.41) MAPTLMNATSHRSMN1; SMN2SCD
SCHEMBL244462 0.78 ALOX15 (0.41) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL245294 0.77 GAA (0.46) MAPTLMNATSHRSMN1; SMN2SCD
SCHEMBL241792 0.77 ALOX15 (0.44) MAPTLMNATSHRSMN1; SMN2SCD
SCHEMBL4565112 0.76 MAPT (0.42) MAPTLMNASMN1; SMN2TDP1NPSR1
SCHEMBL243891 0.76 NPC1 (0.42) MAPTLMNASMN1; SMN2NPSR1ALDH1A1

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 MAPT 3107/4885LMNA 2703/4885TSHR 2958/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPT 2947/4885LMNA 2176/4885TSHR 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.