SCHEMBL3746367

SCHEMBL3746367

COC(=O)c1ccnc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3746040 0.91 SORT1 (0.42) POLBMAPTKCNH2TSHRSMN1; SMN2
SCHEMBL3654825 0.90 CCR3 (0.46) POLBMAPTKCNH2TSHRSMN1; SMN2
SCHEMBL3754549 0.87 MAPT (0.42) POLBMAPTKCNH2SMN1; SMN2GAA
SCHEMBL3657490 0.86 LOXL2 (0.45) POLBMAPTKCNH2TSHRSMN1; SMN2
SCHEMBL2367664 0.86 MAPT (0.48) POLBMAPTTSHRSMN1; SMN2GAA
SCHEMBL1923550 0.85 KDM4E (0.49) POLBMAPTKCNH2MEN1KMT2A
SCHEMBL2367584 0.83 MAPT (0.54) POLBMAPTSMN1; SMN2GAAMEN1
SCHEMBL2367582 0.83 KCNH2 (0.48) POLBMAPTKCNH2TSHRSMN1; SMN2
SCHEMBL2367982 0.83 HSD17B10 (0.54) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3763320 0.82 GRM5 (0.44) POLBMAPTTSHRSMN1; SMN2GAA

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-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

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 POLB 2392/4885MAPT 67/4885KCNH2 4648/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD POLB 2693/4885MAPT 3973/4885KCNH2 1823/4885

“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.