SCHEMBL4155259

SCHEMBL4155259

CCCCCC(N)N[CH]C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.46
ADH1C P00326 2/20 0.46
ADH1A P07327 2/20 0.46
ADH4 P08319 2/20 0.46
ADH7 P40394 2/20 0.46
OPRM1 P35372 1/20 0.41
TRPA1 O75762 1/20 0.40
DDAH1 O94760 1/20 0.40
GAPDH P04406 1/20 0.40
MAPT P10636 1/20 0.40
LAP3 P28838 2/20 0.38
TP53 P04637 1/20 0.38
SPHK1 Q9NYA1 1/20 0.35
EPHX1 P07099 1/20 0.34
S1PR2 O95136 3/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR4 O95977 2/20 0.34
GRIK1 P39086 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL5844770 0.77
SCHEMBL721340 0.71 OPRM1 (0.55) OPRM1MAPTLAP3TP53SPHK1
SCHEMBL18315351 0.69
SCHEMBL5702825 0.69 OPRM1 (0.52) OPRM1MAPTLAP3TP53SPHK1
SCHEMBL1749620 0.67
SCHEMBL11155476 0.67 OPRM1 (0.50) OPRM1MAPTLAP3TP53SPHK1
SCHEMBL8848619 0.67 OPRM1 (0.50) OPRM1MAPTLAP3TP53SPHK1
SCHEMBL15494036 0.67
SCHEMBL18315353 0.67 OPRM1 (0.50) OPRM1MAPTLAP3TP53SPHK1
SCHEMBL16565997 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US claimed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP claimed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO claimed
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
US-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase MERCK & CO., INC. 2008-10-23 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-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
EP-1768956-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-04-04 EP 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-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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
WO-2006005955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (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 (3 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-20080262035-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 ADH1B 193/4885ADH1C 252/4885ADH1A 236/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 ADH1B 183/4885ADH1C 199/4885ADH1A 229/4885
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 ADH1B 253/4885ADH1C 468/4885ADH1A 372/4885

“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.