SCHEMBL4563363

SCHEMBL4563363

COc1ccccc1-c1nnc(-c2cc(C(F)(F)F)nn2-c2csc(CN(CCN(C)C(=O)OC(C)(C)C)C(=O)O)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 10/20 0.49
PTGS2 P35354 2/20 0.39
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14012697 0.96 CARM1 (0.51) CARM1PTGS2MAPTTHRBSMN1; SMN2
SCHEMBL5066984 0.85 CARM1 (0.61) CARM1PTGS2
SCHEMBL5070510 0.78 CARM1 (0.60) CARM1PTGS2CTSSCTSK
SCHEMBL5070512 0.78 CARM1 (0.60) CARM1PTGS2CTSSCTSK
SCHEMBL14012634 0.77 CARM1 (0.68) CARM1PTGS2
SCHEMBL14012696 0.76 ALDH1A1 (0.34) MAPTSMN1; SMN2TP53KDM4ELMNA
SCHEMBL5066980 0.76 CARM1 (0.53) CARM1
SCHEMBL4564381 0.76 CARM1 (0.77) CARM1
SCHEMBL4564380 0.76 CARM1 (0.77) CARM1
SCHEMBL5070508 0.76 CARM1 (0.53) CARM1PTGS2MAPTTHRBSMN1; SMN2

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 CARM1 1/4885PTGS2 3807/4885MAPT 71/4885

“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.