SCHEMBL242203

SCHEMBL242203

Cc1nc(N2CCN(c3ccccc3)C2=O)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.52
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.40

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
SCHEMBL242637 0.85 KMT2A (0.51) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL4538396 0.85 MEN1 (0.46) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL244939 0.82 SCD (0.77) SCD
SCHEMBL245185 0.81 SCD (0.77) SCDKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL243706 0.79 SCD (0.61) SCDNPC1PIK3CDPIK3CAPIK3CB
SCHEMBL27756707 0.79 PIK3CD (0.46) SCDKMT2ARAB9AMEN1PIK3CD
SCHEMBL245141 0.78 SCD (0.69) SCDNPC1SMN1; SMN2
SCHEMBL243343 0.77 SCD (0.71) SCDKMT2AKDM4E
SCHEMBL243883 0.77 SCD (0.53) SCDPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL5368393 0.76 SMN1; SMN2 (0.53) SCDKMT2ANPC1RAB9AMEN1

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 15 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-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
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 SCD 1/4885KMT2A 773/4885NPC1 242/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KMT2A 2098/4885NPC1 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.