SCHEMBL243640

SCHEMBL243640

Cc1cc(N2CCN(CCOc3ccccc3)C2=O)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
KCNH2 Q12809 2/20 0.40
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
KCNA5 P22460 2/20 0.39
PLA2G7 Q13093 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
MAPT P10636 2/20 0.38
APOBEC3A P31941 1/20 0.38
RECQL P46063 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL243891 0.90 NPC1 (0.42) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL243817 0.84 HDAC1 (0.49) NPC1MEN1KMT2APOLBDRD2
SCHEMBL4565112 0.82 MAPT (0.42) LMNARAB9AMEN1KMT2APOLB
SCHEMBL245179 0.81 SCD (0.55) LMNAKMT2APOLBGRIN1RECQL
SCHEMBL242200 0.81 SCD (0.63) RAB9AMEN1KMT2APOLBHPGD
SCHEMBL4565114 0.79 TDP1 (0.40) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL245119 0.75 SCD (0.44) DRD2DRD3KCNH2SCD
SCHEMBL245294 0.75 GAA (0.46) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL244537 0.72 SCD (0.51) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL245721 0.72 SCD (0.53) LMNAGAASCD

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 16 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
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 LMNA 2703/4885NPC1 242/4885RAB9A 3869/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885NPC1 228/4885RAB9A 4305/4885

“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.