SCHEMBL244736

SCHEMBL244736

CCOC(=O)c1sc(-n2cn[nH]c2=O)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
KDM4E B2RXH2 7/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
DHODH Q02127 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL1911611 0.83 RAB9A (0.40) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL244654 0.83 PIK3CD (0.46) ALDH1A1KMT2AKDM4EHPGDRAB9A
SCHEMBL243858 0.80 ALOX15 (0.44) ALDH1A1MAPTMEN1KMT2ACDC7
SCHEMBL3372444 0.76 SCD (0.61) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3369215 0.75 SCD (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2822568 0.75 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3370095 0.75 SCD (0.67) ALDH1A1MAPTMEN1KMT2ACDC7
SCHEMBL348977 0.74 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2ACDC7
SCHEMBL241179 0.74 SCD (0.58) ALDH1A1MAPTMEN1KMT2ACDC7
SCHEMBL21477290 0.73 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ACDC7

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP disclosed
US-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 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-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 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
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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 (4 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 ALDH1A1 433/4885MAPT 3107/4885MEN1 4841/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885MAPT 2947/4885MEN1 4876/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885MAPT 2947/4885MEN1 4876/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 ALDH1A1 451/4885MAPT 2947/4885MEN1 4876/4885

“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.