SCHEMBL4579334

SCHEMBL4579334

N#Cc1ccc(C(=O)NN(C(=O)O)c2ccc(-c3cccs3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.40
PTPN1 P18031 1/20 0.39
CHEK1 O14757 2/20 0.39
CTSA P10619 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC1 Q13547 2/20 0.37
HIF1A Q16665 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL4580709 0.85 TDP1 (0.51) HPGDSHDAC3HDAC2HDAC1HIF1A
SCHEMBL1066552 0.79 ABL1 (0.52) HPGDSHDAC3HDAC2HDAC1KDM4E
SCHEMBL4579839 0.79 HDAC3 (0.61) HDAC3HDAC2HDAC1HDAC10HDAC6
SCHEMBL4794017 0.77 HDAC2 (0.44) HPGDSHDAC3HDAC2HDAC1KDM4E
SCHEMBL4669170 0.77 HDAC1 (0.48) HPGDSHDAC1
SCHEMBL4579392 0.76 HPGDS (0.46) HPGDSHDAC1
SCHEMBL4579327 0.76 HDAC1 (0.49) HDAC3HDAC2HDAC1KDM4EMEN1
SCHEMBL1068512 0.74 ABL1 (0.54) HDAC3HDAC2HDAC1KDM4EMEN1
SCHEMBL4580194 0.74 HDAC1 (0.66) HDAC3HDAC2HDAC1HDAC4HDAC7
SCHEMBL21835778 0.72 HDAC2 (0.69) HPGDSHDAC3HDAC2HDAC1KDM4E

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 HPGDS 1583/4885PTPN1 2835/4885CHEK1 1765/4885

“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.