SCHEMBL4579714

SCHEMBL4579714

NN(C(=O)c1ccc(NC(=O)OCCN2CCOCC2)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.44
HDAC2 Q92769 7/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 2/20 0.42
HDAC3 O15379 4/20 0.41
RAB9A P51151 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
CAMK2D Q13557 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4579949 0.93 HDAC1 (0.41) HDAC1HDAC2KDRHDAC3L3MBTL1
SCHEMBL4578187 0.92 HDAC1 (0.44) HDAC1HDAC2HDAC3
SCHEMBL4579959 0.85 HDAC1 (0.41) HDAC1HDAC2HDAC3CAMK2D
SCHEMBL4578547 0.81 HDAC1 (0.43) HDAC1HDAC2KDRHDAC3RAB9A
SCHEMBL4578792 0.80 HDAC1 (0.48) HDAC1HDAC2HDAC3
SCHEMBL4579710 0.79 HDAC1 (0.64) HDAC1HDAC2HDAC3
SCHEMBL4579958 0.79 HDAC1 (0.61) HDAC1HDAC2HDAC3
SCHEMBL4579158 0.79 HDAC1 (0.45) HDAC1HDAC2HDAC3
SCHEMBL4578951 0.78 HDAC1 (0.44) HDAC1HDAC2HDAC3
SCHEMBL4698377 0.77 HDAC1 (0.40) HDAC1HDAC2HDAC3

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 HDAC1 1/4885HDAC2 5/4885LMNA 1922/4885

“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.