SCHEMBL245185

SCHEMBL245185

Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.77
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45

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
SCHEMBL243951 0.91 SCD (0.73) SCDPOLBHDAC1SMN1; SMN2PIK3CD
SCHEMBL245171 0.91 SCD (0.67) SCDPOLBKMT2ASMN1; SMN2
SCHEMBL348446 0.91 SCD (0.80) SCDPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL13557327 0.91 SCD (0.67) SCDPOLBHDAC1SMN1; SMN2PIK3CD
SCHEMBL242074 0.90 SCD (0.82) SCDPOLBHDAC1
SCHEMBL241804 0.89 SCD (0.75) SCDHDAC1
SCHEMBL243706 0.88 SCD (0.61) SCDHDAC1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL244353 0.88 SCD (0.70) SCDKMT2ASMN1; SMN2
SCHEMBL242149 0.87 SCD (0.65) SCDHDAC1SMN1; SMN2
SCHEMBL243008 0.87 SCD (1.00) SCD

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 22 patents — showing the first 20. 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-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-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-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
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 (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 1/4885POLB 2057/4885CYP2D6 592/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885POLB 2337/4885CYP2D6 241/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885POLB 2337/4885CYP2D6 241/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885POLB 2337/4885CYP2D6 241/4885

“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.