SCHEMBL4581539

SCHEMBL4581539

Nc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(N2CCC(N)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 10/20 0.60
▸ HDAC1 Q13547 8/20 0.60
▸ SCN9A Q15858 2/20 0.49
▸ PIM3 Q86V86 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ HDAC3 O15379 3/20 0.47
▸ SCN5A Q14524 1/20 0.45

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
SCHEMBL4581532 1.00 HDAC2 (0.60) HDAC2HDAC1SCN9APIM3PIM2
SCHEMBL4581926 0.94 HDAC1 (0.61) HDAC2HDAC1SCN9AHDAC3
SCHEMBL4580439 0.91 HDAC2 (0.61) HDAC2HDAC1SCN9AHDAC3
SCHEMBL4580443 0.91 HDAC2 (0.61) HDAC2HDAC1SCN9AHDAC3
SCHEMBL4578242 0.86 HDAC1 (0.61) HDAC2HDAC1HDAC3
SCHEMBL4578247 0.86 HDAC1 (0.61) HDAC2HDAC1HDAC3
SCHEMBL4580625 0.86 HDAC1 (0.61) HDAC2HDAC1HDAC3
SCHEMBL4580967 0.85 HDAC2 (0.59) HDAC2HDAC1PIM3PIM2HDAC3
SCHEMBL4580962 0.85 HDAC2 (0.59) HDAC2HDAC1PIM3PIM2HDAC3
SCHEMBL4578126 0.84 HDAC2 (0.62) HDAC2HDAC1SCN9AHDAC3

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 8 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
CN-101466670-A Benzamide derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-06-24 — — CN 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 HDAC2 5/4885HDAC1 1/4885SCN9A 3841/4885

“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.

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