SCHEMBL4580170

SCHEMBL4580170

CN(C)CCOC(=O)Nc1ccc(C(=O)N(N)c2cccc(-c3ccc(Cl)nc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ATM Q13315 1/20 0.42
KDR P35968 6/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
MCHR1 Q99705 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PAICS P22234 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
SLC6A7 Q99884 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4579927 0.90 BCHE (0.43) BCHEATMKDRALDH1A1MCHR1
SCHEMBL4579400 0.90 OXTR (0.47) BCHEATMKDRMEN1KMT2A
SCHEMBL4578784 0.89 BCHE (0.45) BCHEATMKDRALDH1A1MCHR1
SCHEMBL4578084 0.88 BCHE (0.50) BCHEATMKDR
SCHEMBL4581155 0.85 BCHE (0.57) BCHEATMKDRALDH1A1MCHR1
SCHEMBL4580216 0.83 BCHE (0.47) BCHEATMKDRMCHR1
SCHEMBL4578684 0.82 CNR1 (0.42) BCHEATMKDRALDH1A1LMNA
SCHEMBL4579680 0.82 BCHE (0.43) BCHEATMKDRALDH1A1MCHR1
SCHEMBL4580365 0.82 BCHE (0.45) BCHEATM
SCHEMBL4580416 0.80 BCHE (0.46) BCHEATMKDRMCHR1

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 2823/4885ATM 2106/4885KDR 4395/4885

“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.