SCHEMBL4579609

SCHEMBL4579609

CC(=O)NC1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3NC(=O)O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.50
SMPD3 Q9NY59 1/20 0.46
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC2 Q92769 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4581046 0.88 HDAC2 (0.53) MCHR1HDAC3HDAC8HDAC2KCNH2
SCHEMBL4579404 0.88 HDAC2 (0.53) MCHR1HDAC3HDAC8HDAC2KCNH2
SCHEMBL4579396 0.88 HDAC2 (0.53) MCHR1HDAC3HDAC8HDAC2KCNH2
SCHEMBL14155978 0.88 MCHR1 (0.44) MCHR1SMPD3CYP2D6CHRM1HTR2A
SCHEMBL4578903 0.85 HDAC2 (0.46) MCHR1HDAC3HDAC8ALDH1A1HPGD
SCHEMBL4579690 0.81 MCHR1 (0.59) MCHR1HDAC3HDAC2
SCHEMBL4579686 0.81 MCHR1 (0.59) MCHR1HDAC3HDAC2
SCHEMBL4578828 0.81 MCHR1 (0.54) MCHR1HDAC3HDAC2KCNH2
SCHEMBL4579058 0.79 HDAC2 (0.52) MCHR1HDAC3HDAC8HDAC2KCNH2
SCHEMBL4579053 0.79 HDAC2 (0.52) MCHR1HDAC3HDAC8HDAC2KCNH2

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 MCHR1 4290/4885SMPD3 1203/4885CYP2D6 4762/4885

“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.