SCHEMBL3657490

SCHEMBL3657490

Cc1c(C(=O)Nc2cc(CO)ccn2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
USP2 O75604 1/20 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
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
KCNH2 Q12809 1/20 0.40
NLRP3 Q96P20 1/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3746040 0.87 SORT1 (0.42) LOXL2SMN1; SMN2GAALMNAPOLB
SCHEMBL3654825 0.87 CCR3 (0.46) LOXL2SMN1; SMN2GAALMNAPOLB
SCHEMBL2367249 0.86 MAPT (0.47) SMN1; SMN2GAALMNAPOLBTP53
SCHEMBL3746367 0.86 POLB (0.42) LOXL2SMN1; SMN2GAALMNAPOLB
SCHEMBL30552743 0.85 PTGDR2 (0.48) SMN1; SMN2GAAPOLBALDH1A1HSD17B10
SCHEMBL2367904 0.85 PTGDR2 (0.48) SMN1; SMN2GAAPOLBALDH1A1HSD17B10
SCHEMBL1923304 0.84 MEN1 (0.46) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL2367884 0.83 KDM4E (0.52) SMN1; SMN2POLBTP53ALDH1A1HSD17B10
SCHEMBL2367082 0.82 KCNH2 (0.47) SMN1; SMN2GAAPOLBTP53ALDH1A1
SCHEMBL10098393 0.81 LMNA (0.50) SMN1; SMN2GAALMNAPOLBTP53

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 20 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-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP claimed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO 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
EP-2207774-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO 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 LOXL2 3409/4885SMN1; SMN2 3780/4885GAA 356/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD LOXL2 3053/4885SMN1; SMN2 1592/4885GAA 96/4885

“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.