SCHEMBL4563258

SCHEMBL4563258

CN(CCN1CC=C(c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR1A P08908 3/20 0.37
DRD4 P21917 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5066879 0.85 DRD2 (0.45) SIGMAR1PPARGPPARADRD2HTR7
SCHEMBL5660968 0.81 POLB (0.48) SIGMAR1DRD2HTR1AMAPTRAB9A
SCHEMBL30112463 0.78 PDK4 (0.53) MAPT
SCHEMBL2634572 0.78 PDK4 (0.53) MAPT
SCHEMBL2660796 0.76 MAPT (0.48) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL2640379 0.74 MAPT (0.41) SIGMAR1DRD2HTR1AMAPT
SCHEMBL5662012 0.74 SIGMAR1 (0.42) SIGMAR1DRD2HTR1A
SCHEMBL2648201 0.74 MAPT (0.48) PPARGKDM4ESLC6A4MEN1MAPT
SCHEMBL5661850 0.73 POLB (0.53) SIGMAR1HTR1AKDM4EMAPT
SCHEMBL5661842 0.73 POLB (0.53) SIGMAR1HTR1AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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 (1 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 SIGMAR1 3754/4885PPARG 4591/4885PPARA 4542/4885

“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.