SCHEMBL4578903

SCHEMBL4578903

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 5/20 0.45
HDAC8 Q9BY41 1/20 0.45
MCHR1 Q99705 5/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 3/20 0.42
NOTUM Q6P988 1/20 0.42
SSTR2 P30874 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4579297 0.88 HDAC2 (0.58) HDAC2HDAC3HDAC8KCNH2HDAC1
SCHEMBL4579194 0.88 HDAC2 (0.58) HDAC2HDAC3HDAC8KCNH2HDAC1
SCHEMBL4579191 0.88 HDAC2 (0.58) HDAC2HDAC3HDAC8KCNH2HDAC1
SCHEMBL14155945 0.86 HDAC2 (0.44) HDAC2HDAC3HDAC8MCHR1ALDH1A1
SCHEMBL4579609 0.85 MCHR1 (0.50) HDAC2HDAC3HDAC8MCHR1ALDH1A1
SCHEMBL2406015 0.83 NAMPT (0.52) HDAC2HDAC3HDAC8MCHR1ALDH1A1
SCHEMBL4578242 0.81 HDAC1 (0.61) HDAC2HDAC3MCHR1KCNH2HDAC1
SCHEMBL4578247 0.81 HDAC1 (0.61) HDAC2HDAC3MCHR1KCNH2HDAC1
SCHEMBL4580625 0.81 HDAC1 (0.61) HDAC2HDAC3MCHR1KCNH2HDAC1
SCHEMBL8230500 0.80 MCHR1 (0.48) MCHR1SSTR2MAPK1HDAC1

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 HDAC2 5/4885HDAC3 3/4885HDAC8 9/4885

“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.