SCHEMBL3746392

SCHEMBL3746392

Cc1c(C(=O)Nc2nnc(CO)s2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 7/20 0.42
LMNA P02545 5/20 0.42
HTT P42858 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 6/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
SCD5 Q86SK9 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.40
GLS O94925 1/20 0.40
HPGD P15428 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
SCHEMBL3753864 0.90 ALDH1A1 (0.48) KMT2ASMN1; SMN2HTTGAATP53
SCHEMBL17667924 0.86 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2LMNAHTTNPSR1
SCHEMBL3650305 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3755990 0.85 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2LMNAHTTNPSR1
SCHEMBL3656276 0.85 SCD (0.45) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3653768 0.83 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2LMNAHTTNPSR1
SCHEMBL3654852 0.83 CYP19A1 (0.42) KMT2ASMN1; SMN2LMNAHTTNPSR1
SCHEMBL30552743 0.83 PTGDR2 (0.48) KMT2ASMN1; SMN2GAAMAPTPOLB
SCHEMBL2367904 0.83 PTGDR2 (0.48) KMT2ASMN1; SMN2GAAMAPTPOLB
SCHEMBL17667931 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTNPSR1GAA

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 KMT2A 4409/4885SMN1; SMN2 3780/4885LMNA 3343/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD KMT2A 4555/4885SMN1; SMN2 1592/4885LMNA 1027/4885

“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.