SCHEMBL4578628

SCHEMBL4578628

Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC[C@H](Nc3cccnc3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.69
HDAC3 O15379 5/20 0.60
HDAC2 Q92769 4/20 0.60
KCNH2 Q12809 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL4578634 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2KCNH2HDAC8
SCHEMBL4578949 0.87 HDAC1 (0.58) HDAC1HDAC3HDAC2KCNH2HDAC8
SCHEMBL4578946 0.87 HDAC1 (0.58) HDAC1HDAC3HDAC2KCNH2HDAC8
SCHEMBL14155980 0.84 HDAC1 (0.71) HDAC1HDAC3HDAC2KCNH2HDAC8
SCHEMBL210231 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8
SCHEMBL210919 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8
SCHEMBL210232 0.83 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8
SCHEMBL17832678 0.82 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4580351 0.82 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4580347 0.82 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8

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
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN claimed
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
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN 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

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 1/4885HDAC3 3/4885HDAC2 5/4885

“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.