SCHEMBL2832268

SCHEMBL2832268

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccnc(NCCCN3CCCCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
HDAC1 Q13547 13/20 0.48
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
ACP1 P24666 1/20 0.43
CHRNA7 P36544 1/20 0.42
KCNH2 Q12809 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2829976 0.80 LCK (0.40) HDAC1ACHEBACE1ACP1CHRNA7
SCHEMBL2475817 0.77 HDAC1 (0.60) HDAC1ACHEBACE1HDAC3HDAC2
SCHEMBL2830646 0.76 MAPK1 (0.50) HDAC1ACHEJAK2HDAC3HDAC2
SCHEMBL2834235 0.75 AAK1 (0.49) HDAC1
SCHEMBL2828988 0.75 MCHR1 (0.48) HDAC1KDR
SCHEMBL2831485 0.73 NAMPT (0.41) HDAC1
SCHEMBL6532661 0.72 CHRNA7 (0.51) HDAC1ACHECHRNA7KCNH2
SCHEMBL2828967 0.72 CD274 (0.53) HDAC1KDRHDAC3HDAC2
SCHEMBL2832783 0.72 TRPV1 (0.60) HDAC1ABL1BCRMAPK14
SCHEMBL2831688 0.72 HDAC1 (0.71) HDAC1KCNH2MAPK14HDAC3HDAC6

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
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 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 (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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 MKNK1 3525/4885HDAC1 2/4885ACHE 2690/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MKNK1 3401/4885HDAC1 1/4885ACHE 2041/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 MKNK1 3475/4885HDAC1 2/4885ACHE 2677/4885

“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.