SCHEMBL238488

SCHEMBL238488

NC(=S)NNc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 1.00
MAPT P10636 7/20 1.00
GLA P06280 1/20 1.00
ALDH1A1 P00352 6/20 0.63
IDO1 P14902 2/20 0.63
LMNA P02545 5/20 0.58
ALOX12 P18054 1/20 0.58
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPK14 Q16539 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL29838484 0.80 GAA (0.67) GAAMAPTGLAALDH1A1IDO1
SCHEMBL526255 0.80 GAA (0.67) GAAMAPTGLAALDH1A1IDO1
SCHEMBL667827 0.79 CA2 (0.67) GAAMAPTGLAALDH1A1LMNA
SCHEMBL7043304 0.78 GAA (0.64) GAAMAPTGLAALDH1A1IDO1
SCHEMBL9690067 0.76 GAA (1.00) GAAMAPTGLAALDH1A1IDO1
SCHEMBL15541297 0.74 MAPT (0.59) GAAMAPTGLAALDH1A1IDO1
SCHEMBL27897553 0.74 GAA (1.00) GAAMAPTGLAALDH1A1IDO1
SCHEMBL8231131 0.73 MAPT (0.58) GAAMAPTGLAALDH1A1IDO1
SCHEMBL28916359 0.73 CA2 (0.60) GAAMAPTGLAALDH1A1LMNA
SCHEMBL4555003 0.71 IDO1 (0.78) GAAMAPTALDH1A1IDO1LMNA

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 10 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
CN-101595098-B 1,2,4-triazole derivatives as sigma receptor inhibitors ESTEVE LABOR DR 2012-07-18 CN 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
CN-101595098-A As 1,2 of sigma receptor inhibitors, the 4-triazole derivative ESTEVE LABOR DR (ES) 2009-12-02 CN 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 2370/4885MAPT 2182/4885GLA 4736/4885
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 GAA 2286/4885MAPT 2290/4885GLA 4727/4885

“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.