SCHEMBL3365398

SCHEMBL3365398

O=C(O)c1nc(-c2cc(Cl)ccc2Cl)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
CNR1 P21554 8/20 0.53
CNR2 P34972 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.45
RPA1 P27694 2/20 0.44
PTGS2 P35354 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PPP1CA P62136 1/20 0.42

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
SCHEMBL3366114 0.89 CNR1 (0.65) HTTCNR1CNR2SMN1; SMN2RPA1
SCHEMBL3365395 0.83 HTT (0.60) HTTCNR1CNR2SMN1; SMN2POLB
SCHEMBL3365540 0.82 CNR1 (0.49) HTTCNR1CNR2POLBKMT2A
SCHEMBL3365429 0.79 CNR1 (0.54) HTTCNR1CNR2POLBPTGS2
SCHEMBL3364663 0.79 CNR1 (0.70) CNR1CNR2PTGS2
SCHEMBL10584488 0.79 SMN1; SMN2 (0.80) SMN1; SMN2POLBPTGS2KMT2A
SCHEMBL3367684 0.78 CNR1 (0.65) HTTCNR1CNR2KMT2A
SCHEMBL3365725 0.78 CNR1 (0.69) CNR1CNR2PTGS2
SCHEMBL3366256 0.78 CNR1 (0.69) CNR1CNR2PTGS2
SCHEMBL3364995 0.77 CNR1 (0.85) CNR1CNR2POLBPTGS2

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-1542678-B1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS SOLVAY PHARM BV (NL) 2010-02-24 EP disclosed
US-7319110-B2 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-15 US disclosed
EP-1753413-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB SB 1/SB -ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2007-02-21 EP disclosed
EP-1542678-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS Solvay Pharmaceuticals B.V. (NL) 2005-06-22 EP disclosed
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-09 US disclosed
WO-2005039550-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB1-ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
US-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-06-03 US disclosed
WO-2004026301-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB1 RECEPTOR LIGANDS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-04-01 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-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity CNR1, CNR2, GPR3 HTT 3320/4885CNR1 1/4885CNR2 2/4885
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children PNLIP, DLAT, LPCAT3 HTT 1303/4885CNR1 46/4885CNR2 28/4885

“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.