SCHEMBL4564339

SCHEMBL4564339

COc1ccccc1-c1nc2c(I)cccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.63
PDE5A O76074 5/20 0.60
AURKA O14965 1/20 0.60
SLC2A1 P11166 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
AMY1A P0DUB6 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
CBFB Q13951 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 4/20 0.46
MGAM O43451 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
DCUN1D1 Q96GG9 2/20 0.46

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
SCHEMBL14012670 0.84 MGAM (0.65) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL4563722 0.83 PARP1 (0.67) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL8817550 0.83 PARP1 (0.63) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL4564392 0.78 MGAM (0.64) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL2096956 0.77 AMY1A (0.76) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL31027930 0.77 AMY1A (0.76) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL9045167 0.77 PARP1 (0.60) PARP1PDE5AAURKASLC2A1ALDH1A1
SCHEMBL1170818 0.76 CBFB (0.69) PARP1PDE5AAURKAALDH1A1HPGD
SCHEMBL11771266 0.75 PDE5A (1.00) PDE5AAURKAALDH1A1HPGDHSD17B10
SCHEMBL29625822 0.73 HPSE (0.65) PARP1ALDH1A1HPGDSMN1; SMN2TP53

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 4 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
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
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 PARP1 662/4885PDE5A 290/4885AURKA 326/4885

“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.