SCHEMBL5070546

SCHEMBL5070546

CNCCN1CCC(c2ccc(NC(=O)c3ccccc3NC)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 8/20 0.57
PRMT6 Q96LA8 8/20 0.57
ALDH1A1 P00352 2/20 0.45
TLR9 Q9NR96 3/20 0.45
HDAC1 Q13547 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL5066966 0.85 CARM1 (0.55) CARM1PRMT6ALDH1A1TLR9TLR7
SCHEMBL4563609 0.80 NAMPT (0.43) ALDH1A1HDAC1CYP3A4CYP2D6CYP2C9
SCHEMBL11447143 0.76 CARM1 (0.59) CARM1PRMT6HDAC1
SCHEMBL4555575 0.75 KCNK3 (0.55) CARM1PRMT6TLR9TLR7
SCHEMBL5067456 0.73 TLR9 (0.53) CARM1PRMT6ALDH1A1TLR9TLR7
SCHEMBL5069648 0.73 TLR9 (0.50) CARM1PRMT6ALDH1A1TLR9HDAC1
SCHEMBL5066953 0.71 TLR9 (0.49) CARM1PRMT6ALDH1A1TLR9EGFR
SCHEMBL9189162 0.70 MEN1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2586188 0.69 HDAC3 (0.54) ALDH1A1HDAC1HDAC3HDAC4HDAC7
SCHEMBL11465879 0.68 CARM1 (0.54) CARM1PRMT6HDAC1CYP3A4CYP2D6

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
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 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
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 1/4885PRMT6 5/4885ALDH1A1 2119/4885

“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.