SCHEMBL5126622

SCHEMBL5126622

CC(=O)CCCCC[C@H](NC(=O)CN1CCN(C)CC1)C(=O)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.54
▸ HDAC4 P56524 5/20 0.48
▸ MEF2D Q14814 3/20 0.48
▸ GSK3B P49841 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL12487510 0.93 HDAC1 (0.53) HDAC1HDAC4MEF2DDRD2DRD4
SCHEMBL5120914 0.93 HDAC1 (0.58) HDAC1HDAC4MEF2DLMNAPOLB
SCHEMBL5117308 0.91 HDAC1 (0.49) HDAC1HDAC4MEF2DDRD2DRD4
SCHEMBL5238659 0.91 HDAC1 (0.49) HDAC1HDAC4MEF2DDRD2DRD4
SCHEMBL5121811 0.86 HDAC1 (0.60) HDAC1POLB
SCHEMBL5119634 0.85 HDAC1 (0.70) HDAC1HDAC4MEF2DLMNAPOLB
SCHEMBL5125978 0.84 HDAC1 (0.60) HDAC1DRD4
SCHEMBL5122644 0.83 HDAC1 (0.75) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL5139544 0.83 HDAC1 (0.49) HDAC1POLB
SCHEMBL5121076 0.83 HDAC1 (0.49) HDAC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 — — US claimed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 — — US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 — — US disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 — — EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 — — 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 (2 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC4 7/4885MEF2D 952/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC4 3/4885MEF2D 2147/4885

“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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