SCHEMBL3655707

SCHEMBL3655707

Cc1c(C(=O)Nc2ncc(C=O)s2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
LMNA P02545 6/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 4/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
SCD5 Q86SK9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 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
SCHEMBL3754608 0.88 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3744779 0.87 SCD (0.40) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3656276 0.87 SCD (0.45) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3653936 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL17667936 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3651954 0.85 POLB (0.41) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3658937 0.85 SCD (0.39) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3752357 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3754480 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3653768 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPSR1GAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP claimed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US claimed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US claimed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US claimed
EP-2207774-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP claimed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO claimed
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP disclosed
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US disclosed
US-20120225878-A1 COMPOUNDS BOUILLOT ANNE MARIE JEANNE (FR) 2012-09-06 US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US disclosed
US-8207204-B2 Triazole derivatives as SCD inhibitors GLAXOSMITHKLINE LLC (US) 2012-06-26 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
EP-2207774-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 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-20100297097-A1 COMPOUNDS APP, BACE1, SCD SMN1; SMN2 3780/4885LMNA 3343/4885HTT 165/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SMN1; SMN2 1592/4885LMNA 1027/4885HTT 3115/4885

“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.