SCHEMBL4580365

SCHEMBL4580365

CN(C)CCOC(=O)Nc1ccc(C(=O)N(N)c2cccc(-c3nccs3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
KCNB1 Q14721 7/20 0.43
NTRK1 P04629 5/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
ATM Q13315 1/20 0.38
KCNA5 P22460 2/20 0.38
KCNH2 Q12809 1/20 0.38
PKM P14618 1/20 0.36
PORCN Q9H237 1/20 0.36
SLC6A9 P48067 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL4579680 0.85 BCHE (0.43) BCHEATMSLC6A9
SCHEMBL4581155 0.85 BCHE (0.57) BCHEATMPKM
SCHEMBL4580216 0.84 BCHE (0.47) BCHEABL1BCRATMSLC6A9
SCHEMBL4578084 0.83 BCHE (0.50) BCHEABL1BCRATMPORCN
SCHEMBL4578784 0.83 BCHE (0.45) BCHEATM
SCHEMBL4580170 0.82 BCHE (0.43) BCHEATM
SCHEMBL4580416 0.81 BCHE (0.46) BCHEABL1BCRATM
SCHEMBL4579927 0.81 BCHE (0.43) BCHEABL1ATM
SCHEMBL4579400 0.80 OXTR (0.47) BCHEATMPKM
SCHEMBL4578547 0.80 HDAC1 (0.43) BCHEHDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 BCHE 2823/4885KCNB1 3767/4885NTRK1 4599/4885

“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.