Sugi Predict

Sugi Predict / Compounds / SCHEMBL3751298

SCHEMBL3751298

SCHEMBL3751298

CCc1sc(NC(=O)c2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ KLKB1 P03952 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
SCHEMBL3650305 0.84 SMN1; SMN2 (0.43) KDM4EHSD17B10MAPTHPGDPOLB
SCHEMBL3652837 0.82 SMN1; SMN2 (0.52) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL3653768 0.82 SMN1; SMN2 (0.45) HSD17B10MAPTHPGDPOLBALDH1A1
SCHEMBL3651954 0.82 POLB (0.41) KDM4EMAPK1HSD17B10MAPTHPGD
SCHEMBL1923628 0.82 SMN1; SMN2 (0.52) KDM4EHSD17B10MAPTHPGDPOLB
SCHEMBL3654852 0.80 CYP19A1 (0.42) KDM4EMAPK1HSD17B10MAPTHPGD
SCHEMBL17667930 0.80 SMN1; SMN2 (0.42) HSD17B10MAPTHPGDPOLBALDH1A1
SCHEMBL3657044 0.80 SMN1; SMN2 (0.45) KDM4EHSD17B10MAPTHPGDPOLB
SCHEMBL3653592 0.80 SMN1; SMN2 (0.43) KDM4EHSD17B10MAPTHPGDPOLB
SCHEMBL10098392 0.79 NPC1 (0.40) KDM4EMAPK1HSD17B10MAPTHPGD

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 10 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-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 KDM4E 4731/4885MAPK1 1418/4885HSD17B10 123/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD KDM4E 2675/4885MAPK1 2573/4885HSD17B10 85/4885

“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.