Sugi Predict

Sugi Predict / Compounds / SCHEMBL3763320

SCHEMBL3763320

SCHEMBL3763320

COC(=O)c1cccc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ POLB P06746 3/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL1923628 0.82 SMN1; SMN2 (0.52) KDM4EMAPTPOLBSMN1; SMN2CYP1A2
SCHEMBL3746367 0.82 POLB (0.42) KDM4EMAPK1MAPTPOLBSMN1; SMN2
SCHEMBL3754549 0.82 MAPT (0.42) MAPTPOLBSMN1; SMN2CYP1A2HSD17B10
SCHEMBL2367933 0.82 KDM4E (0.49) KDM4EMAPK1MAPTPOLBSMN1; SMN2
SCHEMBL1923550 0.82 KDM4E (0.49) KDM4EMAPK1MAPTPOLBHSD17B10
SCHEMBL2367664 0.81 MAPT (0.48) KDM4EMAPTPOLBSMN1; SMN2HSD17B10
SCHEMBL17667928 0.81 SORT1 (0.47) MAPTPOLBSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL29382098 0.80 THRB (0.46) KDM4EMAPK1MAPTPOLBSMN1; SMN2
SCHEMBL2368190 0.80 THRB (0.46) KDM4EMAPK1MAPTPOLBSMN1; SMN2
SCHEMBL15484860 0.79 KDM4E (0.64) KDM4EMAPK1MAPTPOLBHSD17B10

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 11 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 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 GRM5 2216/4885KDM4E 4731/4885MAPK1 1418/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD GRM5 2865/4885KDM4E 2675/4885MAPK1 2573/4885

“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.