SCHEMBL3744779

SCHEMBL3744779

COCc1c(C(=O)Nc2ncc(C=O)s2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 3/20 0.39
HSP90AA1 P07900 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3655553 0.88 SCD (0.47) SCDMAPTPOLBHSP90AA1MEN1
SCHEMBL3655707 0.87 SMN1; SMN2 (0.41) SCDMAPTPOLBCSNK2A2CSNK2B
SCHEMBL3749261 0.79 SMN1; SMN2 (0.49) MAPTPOLBHSD17B10HPGDSMN1; SMN2
SCHEMBL3746346 0.78 CYP2C9 (0.44) MAPTPOLBHPGDSMN1; SMN2CYP1A2
SCHEMBL3651954 0.77 POLB (0.41) SCDMAPTPOLBHSP90AA1MEN1
SCHEMBL3753864 0.76 ALDH1A1 (0.48) MAPTPOLBMEN1KMT2AHSD17B10
SCHEMBL3754608 0.76 SMN1; SMN2 (0.41) SCDMAPTPOLBHSD17B10HPGD
SCHEMBL3653936 0.75 SMN1; SMN2 (0.41) MAPTPOLBHSD17B10HPGDSMN1; SMN2
SCHEMBL3656276 0.75 SCD (0.45) SCDMAPTPOLBHSP90AA1HSD17B10
SCHEMBL17667936 0.73 SMN1; SMN2 (0.45) SCDMAPTPOLBHSP90AA1MEN1

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 8 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
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-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 SCD 3/4885MAPT 67/4885POLB 2392/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SCD 3/4885MAPT 3973/4885POLB 2693/4885

“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.