SCHEMBL3652209

SCHEMBL3652209

Cc1c(C(=O)Nc2nc(CCO)cs2)nnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.47
SMN1; SMN2 Q16637 8/20 0.40
TP53 P04637 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 6/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KLKB1 P03952 1/20 0.38
USP2 O75604 3/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL3753831 0.89 SCD (0.47) SCDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10098391 0.88 MEN1 (0.46) SMN1; SMN2TP53CYP1A2CYP2C9CYP2C19
SCHEMBL2368467 0.82 PTGDR2 (0.48) SMN1; SMN2TP53GAAMAPTPOLB
SCHEMBL3751671 0.81 ALDH1A1 (0.44) SMN1; SMN2TP53GAALMNAMAPT
SCHEMBL3653768 0.80 SMN1; SMN2 (0.45) SMN1; SMN2TP53GAALMNAMAPT
SCHEMBL3650305 0.80 SMN1; SMN2 (0.43) SMN1; SMN2TP53GAALMNAMAPT
SCHEMBL3746392 0.79 KMT2A (0.46) SMN1; SMN2TP53GAALMNAMAPT
SCHEMBL2367728 0.79 KDM4E (0.50) SMN1; SMN2TP53KCNH2MAPTPOLB
SCHEMBL31414372 0.79 KDM4E (0.50) SMN1; SMN2TP53KCNH2MAPTPOLB
SCHEMBL3658937 0.78 SCD (0.39) SCDSMN1; SMN2TP53GAALMNA

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 18 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
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

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 3/4885SMN1; SMN2 3780/4885TP53 1018/4885
US-20120225878-A1 COMPOUNDS CYP11B2, CYP11B1, SCD SCD 3/4885SMN1; SMN2 1592/4885TP53 4383/4885

“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.