SCHEMBL238439

SCHEMBL238439

Cc1nc(S)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.41
RPA1 P27694 3/20 0.41
SIGMAR1 Q99720 8/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 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
SCHEMBL239453 0.80 L3MBTL1 (0.46) GAAL3MBTL1MAPTALDH1A1LMNA
SCHEMBL11510201 0.73 MAPK1 (0.43) GAAL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL2526908 0.73 GAA (0.40) GAAL3MBTL1MAPTALDH1A1LMNA
SCHEMBL20535649 0.72 LMNA (0.47) L3MBTL1LMNARPA1KCNH2KDM4E
SCHEMBL11376339 0.71 PTGS1 (0.51) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL3841353 0.71 SIGMAR1 (0.41) GAAL3MBTL1MAPTALDH1A1LMNA
SCHEMBL14141535 0.71 GAA (0.39) GAAL3MBTL1MAPTALDH1A1LMNA
SCHEMBL15398011 0.71 GAA (0.41) GAAL3MBTL1MAPTALDH1A1LMNA
SCHEMBL30057757 0.71 SIGMAR1 (0.58) ALDH1A1SIGMAR1KCNH2HTT
SCHEMBL17887004 0.70 L3MBTL1 (0.65) GAAL3MBTL1MAPTALDH1A1SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097394-B1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-12-25 EP disclosed
US-8349878-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-08 US disclosed
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-05 US disclosed
US-8039497-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-10-18 US disclosed
US-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-01-07 US disclosed
EP-2097394-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055932-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO disclosed
EP-1921073-A1 1,2,4-Triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP 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-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 GAA 2370/4885L3MBTL1 4856/4885MAPT 2182/4885
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 GAA 2286/4885L3MBTL1 4874/4885MAPT 2290/4885

“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.