SCHEMBL245706

SCHEMBL245706

CCOC(=O)c1sc(-n2cnn(CCOc3ccc(F)cc3)c2=O)nc1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.64
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL241034 0.90 SCD (0.67) SCDNPC1
SCHEMBL245124 0.85 SCD (0.76) SCDKDM4EALDH1A1LMNAKMT2A
SCHEMBL12134067 0.81 SCD (0.60) SCDKDM4EALDH1A1LMNAKMT2A
SCHEMBL243859 0.79 SCD (0.60) SCDALDH1A1KMT2AMEN1MAPT
SCHEMBL245396 0.79 SCD (1.00) SCD
SCHEMBL348318 0.78 SCD (0.48) SCDALDH1A1KMT2AMEN1NPC1
SCHEMBL240745 0.77 SCD (0.59) SCDKDM4EALDH1A1KMT2AMEN1
SCHEMBL241179 0.75 SCD (0.58) SCDALDH1A1LMNAKMT2AMEN1
SCHEMBL244719 0.75 SCD (0.64) SCDKDM4EKMT2AMEN1MAPT
SCHEMBL348023 0.74 SCD (0.61) SCDALDH1A1KMT2AMEN1MAPT

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 14 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
CN-101535303-A Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid level NOVARTIS AG (CH) 2009-09-16 CN 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 1/4885KDM4E 447/4885ALDH1A1 433/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885ALDH1A1 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.