SCHEMBL4581100

SCHEMBL4581100

CN(C)CCOC(=O)Nc1ccc(C(=O)N(O)c2cc(F)cc(-c3cccs3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 2/20 0.38
LMNA P02545 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL4579943 0.89 BCHE (0.47) BCHEHDAC1HDAC3HDAC2MEN1
SCHEMBL4578109 0.88 BCHE (0.49) BCHEHDAC1HDAC3HDAC2MEN1
SCHEMBL4581095 0.79 HDAC1 (0.47) BCHEHDAC1HDAC3HDAC2MEN1
SCHEMBL4580638 0.77 BCHE (0.43) BCHEHDAC1CNR1MAPK1RAB9A
SCHEMBL4578547 0.77 HDAC1 (0.43) BCHEHDAC1HDAC3HDAC2MET
SCHEMBL4579935 0.75 HDAC1 (0.57) HDAC1HDAC3HDAC2KCNH2
SCHEMBL1068551 0.74 HDAC1 (0.68) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578097 0.73 HDAC1 (0.46) BCHEHDAC1HDAC3HDAC2MEN1
SCHEMBL4579059 0.70 HDAC1 (0.41) BCHEHDAC1HDAC3HDAC2MEN1
SCHEMBL4578538 0.70 HDAC1 (0.66) HDAC1HDAC3HDAC2KCNH2

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 2823/4885HDAC1 1/4885HDAC3 3/4885

“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.