SCHEMBL4564287

SCHEMBL4564287

COc1ccccc1C(=O)Nc1ccc(C2=CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.57
ABCB1 P08183 11/20 0.50
ABCC1 P33527 7/20 0.50
KCNMA1 Q12791 3/20 0.48
QDPR P09417 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL14326392 0.83 BRPF1 (0.59) BRPF1KCNMA1QDPRMAPTSMN1; SMN2
SCHEMBL28538188 0.81 MAPT (0.49) ABCB1ABCC1KCNMA1QDPRKMT2A
SCHEMBL4564101 0.78 ABCB1 (0.45) ABCB1ABCC1KCNMA1KMT2AMEN1
SCHEMBL522135 0.76 QDPR (0.62) QDPRLMNA
Hydrochloric Acid SCHEMBL521660 0.75 QDPR (0.61) QDPRLMNA
Trifluoroacetic Acid SCHEMBL28431227 0.73 QDPR (0.55) QDPRLMNA
SCHEMBL29803546 0.70 QDPR (0.47) BRPF1QDPRSMN1; SMN2
SCHEMBL29803621 0.70 QDPR (0.54) BRPF1ABCB1ABCC1QDPRKMT2A
SCHEMBL5452132 0.70 RAB9A (0.58) QDPRKMT2AMEN1LMNAMAPT
SCHEMBL503282 0.69 DHODH (0.72) ABCB1ABCC1MAPTSMN1; 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 7 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

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 BRPF1 4004/4885ABCB1 1429/4885ABCC1 1514/4885

“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.