SCHEMBL2829176

SCHEMBL2829176

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
F10 P00742 1/20 0.53
HDAC1 Q13547 3/20 0.51
MDM4 O15151 1/20 0.51
TP53 P04637 1/20 0.51
HDAC3 O15379 1/20 0.51
MAPK1 P28482 1/20 0.51
HDAC2 Q92769 1/20 0.51
NAMPT P43490 1/20 0.49
KCNMA1 Q12791 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL3662421 0.92 F10 (0.53) POLBHPGDKMT2AMEN1F10
SCHEMBL12772560 0.89 NPC1 (0.57) POLBHPGDKMT2AMEN1F10
SCHEMBL13949629 0.89 MEN1 (0.54) KMT2AMEN1F10HDAC1HDAC2
SCHEMBL1066788 0.89 F10 (0.53) POLBHPGDKMT2AMEN1F10
SCHEMBL1705479 0.88 GAA (0.53) POLBKMT2AMEN1F10HDAC1
SCHEMBL30944732 0.88 F10 (0.55) HPGDKMT2AMEN1F10HDAC1
SCHEMBL2829994 0.88 F10 (0.51) POLBKMT2AMEN1F10HDAC1
SCHEMBL1062994 0.88 F10 (0.55) HPGDKMT2AMEN1F10HDAC1
SCHEMBL30091856 0.88 GAA (0.53) POLBKMT2AMEN1F10HDAC1
SCHEMBL2880191 0.88 LMNA (0.54) POLBHPGDKMT2AMEN1NAMPT

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 POLB 298/4885HPGD 1107/4885KMT2A 101/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 POLB 746/4885HPGD 751/4885KMT2A 70/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 POLB 325/4885HPGD 956/4885KMT2A 107/4885

“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.