SCHEMBL3755702

SCHEMBL3755702

Cc1nc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)sc1C(=O)NCCC(C)C

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 6/20 0.41
NPSR1 Q6W5P4 5/20 0.41
TP53 P04637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KLKB1 P03952 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
HTR2A P28223 2/20 0.37
USP2 O75604 2/20 0.37
POLB P06746 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3652313 0.91 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3653875 0.89 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3653592 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3653903 0.89 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3751374 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTNPSR1TP53
Hydrochloric Acid SCHEMBL12081003 0.88 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3752205 0.87 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3657044 0.86 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3656071 0.85 NAMPT (0.47) SMN1; SMN2LMNAHTTNPSR1TP53
SCHEMBL3750689 0.84 RAB9A (0.50) SMN1; SMN2LMNAHTTNPSR1TP53

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-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-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-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
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.