SCHEMBL245171

SCHEMBL245171

Cc1nc(N2CCN(Cc3ccc(Cl)cc3)C2=O)sc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.67
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 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
SCHEMBL13557327 0.91 SCD (0.67) SCDKDM4ENPC1POLBRAB9A
SCHEMBL245185 0.91 SCD (0.77) SCDPOLBSMN1; SMN2KMT2A
SCHEMBL347383 0.90 SCD (0.82) SCDMEN1KMT2AERCC1ERCC4
SCHEMBL242074 0.90 SCD (0.82) SCDKDM4EPOLBRAB9ALMNA
SCHEMBL243951 0.89 SCD (0.73) SCDKDM4ENPC1POLBRAB9A
SCHEMBL242149 0.87 SCD (0.65) SCDSMN1; SMN2ALDH1A1
SCHEMBL244748 0.87 SCD (0.62) SCDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL347143 0.87 SCD (0.65) SCDKDM4EPOLBLMNA
SCHEMBL241977 0.84 SCD (0.64) SCDLMNA
SCHEMBL246011 0.84 SCD (0.62) SCDALDH1A1LMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054408-B1 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2016-07-13 EP disclosed
EP-2054408-B1 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2016-07-13 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-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-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
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 SCD 1/4885KDM4E 447/4885NPC1 242/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885NPC1 228/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885NPC1 228/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885NPC1 228/4885

“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.