SCHEMBL240793

SCHEMBL240793

Cc1csc(NC(=O)c2ccc(CN3CCN(c4nc(C)cs4)C3=O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 1/20 0.53
SCD O00767 7/20 0.52
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 4/20 0.47

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
SCHEMBL243182 0.87 HDAC1 (0.56) RAB9ANPC1ALDH1A1TDP1SCD
SCHEMBL244590 0.85 SCD (0.50) RAB9ASCDHDAC1
SCHEMBL242643 0.85 HDAC1 (0.49) RAB9AKDM4ESCDGAAHDAC1
SCHEMBL244363 0.83 SCD (0.66) ALDH1A1SMN1; SMN2SCDKMT2AMEN1
SCHEMBL1909686 0.80 RAB9A (0.61) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL1909503 0.79 SCD (0.55) RAB9ASMN1; SMN2SCDKMT2AHDAC1
SCHEMBL240604 0.79 HDAC1 (0.53) RAB9AKDM4ESMN1; SMN2MAPTSCD
SCHEMBL243388 0.78 SCD (0.44) RAB9ASCDHDAC1
SCHEMBL13461015 0.77 MAPT (0.64) MAPTSCD
SCHEMBL1909592 0.74 SCD (0.45) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT

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 12 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-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 RAB9A 3869/4885NPC1 242/4885ALDH1A1 433/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 RAB9A 4305/4885NPC1 228/4885ALDH1A1 451/4885

“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.