SCHEMBL3754549

SCHEMBL3754549

COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
PLA2G1B P04054 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CDK9 P50750 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL17667933 0.91 PTGDR2 (0.44) MAPTPOLBGAAPTGDR2SMN1; SMN2
SCHEMBL3746367 0.87 POLB (0.42) MAPTPOLBRAB9AGAASMN1; SMN2
SCHEMBL2367664 0.86 MAPT (0.48) MAPTPOLBRAB9AGAAPTGDR2
SCHEMBL1923550 0.85 KDM4E (0.49) MAPTPOLBPTGDR2KCNH2MEN1
SCHEMBL2367584 0.83 MAPT (0.54) MAPTPOLBGAASMN1; SMN2PLA2G1B
SCHEMBL2367982 0.83 HSD17B10 (0.54) MAPTPOLBPTGDR2SMN1; SMN2MEN1
SCHEMBL2367582 0.83 KCNH2 (0.48) MAPTPOLBPTGDR2SMN1; SMN2KCNH2
SCHEMBL3763320 0.82 GRM5 (0.44) MAPTPOLBGAASMN1; SMN2CYP1A2
SCHEMBL1923628 0.82 SMN1; SMN2 (0.52) MAPTPOLBRAB9AGAAPTGDR2
SCHEMBL3651954 0.81 POLB (0.41) MAPTPOLBRAB9AGAASMN1; SMN2

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 16 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
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 MAPT 67/4885POLB 2392/4885RAB9A 4100/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD MAPT 3973/4885POLB 2693/4885RAB9A 2352/4885

“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.