SCHEMBL3755990

SCHEMBL3755990

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
SCD5 Q86SK9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
KLKB1 P03952 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3746392 0.85 KMT2A (0.46) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL17667924 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3753864 0.82 ALDH1A1 (0.48) SMN1; SMN2HTTGAATP53ALDH1A1
SCHEMBL3653768 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3654852 0.81 CYP19A1 (0.42) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3655707 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL17667931 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3751671 0.81 ALDH1A1 (0.44) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3656276 0.79 SCD (0.45) SMN1; SMN2LMNAHTTNPSR1GAA
SCHEMBL3657044 0.79 SMN1; SMN2 (0.45) 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 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 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 SMN1; SMN2 3780/4885LMNA 3343/4885HTT 165/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SMN1; SMN2 1592/4885LMNA 1027/4885HTT 3115/4885

“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.