SCHEMBL3746040

SCHEMBL3746040

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KLKB1 P03952 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL3654825 0.91 CCR3 (0.46) MAPTTSHRSMN1; SMN2GAAPTGDR2
SCHEMBL3746367 0.91 POLB (0.42) MAPTTSHRSMN1; SMN2GAAKDM5A
SCHEMBL3657490 0.87 LOXL2 (0.45) MAPTTSHRSMN1; SMN2GAALOXL2
SCHEMBL17667933 0.86 PTGDR2 (0.44) MAPTSMN1; SMN2GAAPTGDR2KLKB1
SCHEMBL15329816 0.85 PTGDR2 (0.48) MAPTTSHRSMN1; SMN2GAAPTGDR2
SCHEMBL2367720 0.84 PTGDR2 (0.54) MAPTPTGDR2TP53ALDH1A1HSD17B10
SCHEMBL1923270 0.84 PTGDR2 (0.47) MAPTSMN1; SMN2GAAPTGDR2KLKB1
SCHEMBL2367655 0.83 KDM4E (0.51) MAPTPTGDR2HSD17B10KCNH2
SCHEMBL31414354 0.83 KDM4E (0.51) MAPTPTGDR2HSD17B10KCNH2
SCHEMBL15329329 0.82 KCNH2 (0.46) MAPTTSHRSMN1; SMN2PTGDR2TP53

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 12 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
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

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 SORT1 341/4885MAPT 67/4885TSHR 2737/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SORT1 2203/4885MAPT 3973/4885TSHR 4038/4885

“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.