SCHEMBL8269683

SCHEMBL8269683

O=C(CCCCC[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 9/20 0.57
▸ HDAC1 Q13547 11/20 0.56
▸ HDAC6 Q9UBN7 6/20 0.56
▸ HDAC3 O15379 5/20 0.56
▸ HDAC10 Q969S8 5/20 0.56
▸ HDAC11 Q96DB2 5/20 0.56
▸ HDAC8 Q9BY41 5/20 0.56
▸ NCOR2 Q9Y618 5/20 0.56
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL27659484 0.92 MAPK1 (0.54) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL8271583 0.90 HDAC2 (0.68) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL14298774 0.88 HDAC2 (0.62) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL8271594 0.86 HDAC1 (0.53) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL13288519 0.86 HDAC1 (0.64) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL13288521 0.86 HDAC2 (0.68) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL13288499 0.85 HDAC1 (0.64) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL13288500 0.85 HDAC2 (0.61) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL8270608 0.84 HDAC2 (0.58) HDAC2HDAC1HDAC6HDAC3HDAC10
SCHEMBL3504493 0.83 HDAC1 (0.62) HDAC2HDAC1HDAC6HDAC3HDAC10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-20080033015-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-02-07 — — US disclosed
WO-2006017216-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-02-16 — — 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-20080033015-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 HDAC2 8/4885HDAC1 1/4885HDAC6 7/4885

“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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