SCHEMBL242645

SCHEMBL242645

CCOC(=O)c1sc(N2CCN(CC(=O)c3ccccc3)C2=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 1/20 0.42
SCN9A Q15858 2/20 0.41
EP300 Q09472 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4564567 0.91 KMT2A (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL242263 0.88 EP300 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1SCN9A
SCHEMBL244537 0.85 SCD (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL245294 0.84 GAA (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL243891 0.82 NPC1 (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL244462 0.81 ALOX15 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4565114 0.79 TDP1 (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL241792 0.79 ALOX15 (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14047636 0.78 SCD (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL242785 0.78 SCD (0.56) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 17 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
CN-101535303-A Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2009-09-16 CN 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 MAPT 3107/4885ALDH1A1 433/4885SMN1; SMN2 3878/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPT 2947/4885ALDH1A1 451/4885SMN1; 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.