SCHEMBL2830646

SCHEMBL2830646

CN1CCN(c2nccc(-c3ccc(C(=O)Nc4ccccc4NC(=O)OC(C)(C)C)cc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.48
HCAR2 Q8TDS4 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F10 P00742 1/20 0.43
SCN9A Q15858 1/20 0.42
JAK2 O60674 3/20 0.42
LDLR P01130 1/20 0.42
KIT P10721 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
ACHE P22303 1/20 0.41
JAK3 P52333 1/20 0.41
WDR5 P61964 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL2834235 0.81 AAK1 (0.49) HDAC1IRAK4
SCHEMBL2830700 0.80 F10 (0.64) MAPK1POLBF10HDAC3
SCHEMBL2831485 0.78 NAMPT (0.41) HDAC1
SCHEMBL2832783 0.77 TRPV1 (0.60) HDAC1SCN9A
SCHEMBL2832268 0.76 MKNK1 (0.51) HDAC1JAK2ACHEHDAC3HDAC2
SCHEMBL2829960 0.73 CYP17A1 (0.56) MAPK1POLBHDAC1MEN1KMT2A
SCHEMBL34464753 0.73 JAK2 (0.44) HDAC1JAK2JAK3HDAC3HDAC2
SCHEMBL20163097 0.73 HDAC2 (0.70) MAPK1POLBHDAC1HDAC3HDAC2
SCHEMBL5222728 0.72 PTPN11 (0.56) HDAC1MEN1KMT2AACHE
SCHEMBL3274585 0.72 ACHE (0.66) HCAR2KITACHE

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 9 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
CN-101805309-A Benzamide derivatives as histone deacetylase inhibitors ASTRAZENECA AB 2010-08-18 CN 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
CN-1642915-A Benzamide derivatives useful as inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
EP-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 MAPK1 3429/4885POLB 298/4885HDAC1 2/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MAPK1 3149/4885POLB 746/4885HDAC1 1/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 MAPK1 3288/4885POLB 325/4885HDAC1 2/4885

“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.