SCHEMBL4579784

SCHEMBL4579784

COc1cc(OC)c2cc(C(=O)Nc3cc(-c4ccncc4)ccc3N)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.50
HDAC1 Q13547 8/20 0.48
HDAC3 O15379 5/20 0.48
TP53 P04637 1/20 0.44
ABCB1 P08183 2/20 0.43
ABCC1 P33527 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C18 P33260 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 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
SCHEMBL1067043 0.84 HDAC1 (0.63) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL4579321 0.84 HDAC2 (0.54) HDAC2HDAC1HDAC3TP53ABCB1
SCHEMBL1066986 0.77 HDAC2 (0.76) HDAC2HDAC1HDAC3ABCB1HDAC4
SCHEMBL4580386 0.75 HDAC2 (0.65) HDAC2HDAC1HDAC3TP53MAPT
SCHEMBL4578820 0.74 HDAC2 (0.71) HDAC2HDAC1HDAC3TTKHDAC4
SCHEMBL4580130 0.73 HDAC2 (0.57) HDAC2HDAC1HDAC3TP53ABCB1
SCHEMBL4581065 0.72 PAICS (0.53) HDAC2HDAC1HDAC3CYP1A2CYP2C18
SCHEMBL4579283 0.72 HDAC2 (0.56) HDAC2HDAC1HDAC3TP53KDM4E
SCHEMBL4580677 0.72 HDAC1 (0.61) HDAC2HDAC1HDAC3ABCB1ABCC1
SCHEMBL6237159 0.72 KDM4E (0.50) TP53MAPTKDM4EALDH1A1HPGD

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 7 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 5/4885HDAC1 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.