SCHEMBL239453

SCHEMBL239453

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
RPA1 P27694 6/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39

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
SCHEMBL11867580 0.83 RPA1 (0.43) L3MBTL1GAARPA1MAPTALDH1A1
SCHEMBL10360347 0.81 KMT2A (0.54) L3MBTL1GAAMAPTALDH1A1
SCHEMBL238439 0.80 GAA (0.46) L3MBTL1GAARPA1MAPTALDH1A1
SCHEMBL10360358 0.79 GAA (0.49) GAAMAPTALDH1A1LMNA
SCHEMBL11864144 0.75 MAPT (0.47) GAAMAPTALDH1A1LMNA
SCHEMBL31522193 0.75 ALDH1A1 (0.50) L3MBTL1GAARPA1MAPTALDH1A1
SCHEMBL13902297 0.75 ALDH1A1 (0.50) L3MBTL1GAARPA1MAPTALDH1A1
SCHEMBL1895896 0.75 L3MBTL1 (0.50) L3MBTL1GAAALDH1A1SIGMAR1
SCHEMBL2526908 0.73 GAA (0.40) L3MBTL1GAARPA1MAPTALDH1A1
SCHEMBL236974 0.73 KDM4A (0.45) GAAALDH1A1LMNATSHR

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 6 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-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 L3MBTL1 4856/4885GAA 2370/4885RPA1 2639/4885
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 L3MBTL1 4874/4885GAA 2286/4885RPA1 2506/4885

“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.