SCHEMBL219356

SCHEMBL219356

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(OC)cc2)c1C#N

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.67
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 1/20 0.64
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
CNR2 P34972 1/20 0.52
PPARA Q07869 1/20 0.49

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
SCHEMBL219061 0.93 KDM4E (0.69) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL4074146 0.90 KDM4E (0.65) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL3249853 0.88 CNR1 (0.73) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL2875643 0.88 CNR1 (0.63) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL4791922 0.87 KDM4E (0.57) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL4914356 0.86 GABRA2 (0.60) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL4911810 0.84 GABRA2 (0.58) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL6766067 0.83 MAPT (0.74) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL7977816 0.83 CNR1 (0.65) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL4888462 0.82 CNR1 (0.71) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-7875646-B2 Cannabinoid receptor antagonist; N-{[5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]methyl}-3-cyanobenzenesulfonamide; psychiatric disorder, substance dependence and withdrawal disorder, cognitive disorder, ADD, neurodegenerative diseases, pain, eating disorders, dyslipidemia, ulcer SANOFI-AVENTIS (FR) 2011-01-25 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
US-20080070962-A1 DERIVATIVES OF N-[(1,5-DIPHENYL-1H-PYRAZOL-3-YL)METHYL] SULFONAMIDE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-03-20 US disclosed
US-7297710-B1 Derivatives of N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2007-11-20 US 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-20080070962-A1 DERIVATIVES OF N-[(1,5-DIPHENYL-1H-PYRAZOL-3-YL)METHYL] SULFONAMIDE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS PRMT5, PRMT3, PRMT1 CNR1 93/4885KDM4E 951/4885MEN1 1128/4885
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 CNR1 8/4885KDM4E 439/4885MEN1 1092/4885

“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.