SCHEMBL4580146

SCHEMBL4580146

COc1ccc(-c2ccc(C=CC(=O)Nc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)cn2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
MAPT P10636 2/20 0.49
HDAC1 Q13547 3/20 0.46
TNFRSF1A P19438 7/20 0.46
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LTB4R Q15722 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL4580140 1.00 TP53 (0.49) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL4579408 0.86 HDAC1 (0.62) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL4579403 0.86 HDAC1 (0.62) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL2606707 0.83 HDAC1 (0.65) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL4580144 0.81 TNFRSF1A (0.47) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL2136441 0.81 HDAC1 (0.53) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL2136451 0.81 HDAC1 (0.53) TP53MAPTHDAC1TNFRSF1AHDAC2
SCHEMBL4579371 0.79 HDAC1 (0.61) HDAC1TNFRSF1AHDAC2HDAC3HDAC4
SCHEMBL4579367 0.79 HDAC1 (0.61) HDAC1TNFRSF1AHDAC2HDAC3HDAC4
SCHEMBL14155872 0.79 HDAC3 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7

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 3 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 TP53 575/4885MAPT 2110/4885HDAC1 1/4885

“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.