SCHEMBL4564392

SCHEMBL4564392

COc1ccccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.64
GAA P10253 1/20 0.64
SI P14410 1/20 0.64
MGAM2 Q2M2H8 1/20 0.64
PARP1 P09874 1/20 0.60
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
PDE5A O76074 4/20 0.54
AURKA O14965 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
AMY1A P0DUB6 2/20 0.49
SLC2A1 P11166 1/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9044494 0.90 MGAM (0.71) MGAMGAASIMGAM2PARP1
SCHEMBL7129510 0.82 PKN1 (0.53) MGAMGAASIMGAM2PARP1
SCHEMBL31049691 0.81 GAA (0.64) MGAMGAASIMGAM2PARP1
SCHEMBL7722428 0.80 MGAM (0.52) MGAMGAASIMGAM2PARP1
SCHEMBL6829720 0.79 MGAM (0.51) MGAMGAASIMGAM2PARP1
SCHEMBL14012670 0.79 MGAM (0.65) MGAMGAASIMGAM2PARP1
SCHEMBL8599658 0.78 PKN1 (0.56) MGAMGAASIMGAM2PKN1
SCHEMBL6829722 0.78 MGAM (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL6511414 0.78 MGAM (1.00) MGAMGAASIMGAM2PKN1
SCHEMBL8817550 0.78 PARP1 (0.63) MGAMGAASIMGAM2PARP1

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 MGAM 1235/4885GAA 4034/4885SI 2064/4885

“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.