SCHEMBL4564101

SCHEMBL4564101

CNCCN1CC=C(c2ccc(NC(=O)c3ccccc3OC)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.45
ABCC1 P33527 5/20 0.45
DRD3 P35462 1/20 0.43
KCNMA1 Q12791 2/20 0.43
HTR1A P08908 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4563395 0.87 DRD3 (0.46) ABCB1ABCC1DRD3KCNMA1HTR1A
SCHEMBL14326393 0.85 DRD3 (0.44) DRD3KCNMA1HTR1AALDH1A1GAA
SCHEMBL4564287 0.78 BRPF1 (0.57) ABCB1ABCC1KCNMA1MEN1KMT2A
SCHEMBL28614009 0.72 KMT2A (0.47) KMT2AALDH1A1POLBGAALMNA
SCHEMBL22725424 0.71 POLB (0.42) HTR1AMEN1KMT2AALDH1A1POLB
SCHEMBL311532 0.70 SIGMAR1 (0.48) ABCB1ABCC1MEN1KMT2AALDH1A1
SCHEMBL521978 0.70 SUV39H2 (0.49) ABCB1ABCC1ALDH1A1LMNAMAPT
SCHEMBL310018 0.69 SUV39H2 (0.47) ABCB1ABCC1MEN1KMT2AALDH1A1
SCHEMBL7297680 0.68 DRD3 (0.55) DRD3HTR1AALDH1A1GAALMNA
SCHEMBL5067456 0.67 TLR9 (0.53) ALDH1A1GAAMAPT

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 8 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
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 ABCB1 1429/4885ABCC1 1514/4885DRD3 3359/4885

“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.