SCHEMBL2829380

SCHEMBL2829380

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncnc3ccsc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.45
HDAC1 Q13547 6/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NAMPT P43490 1/20 0.39
MAP4K4 O95819 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.38
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2831952 0.83 MAPT (0.41) METAP1HDAC1HDAC3HDAC4HDAC7
SCHEMBL2832280 0.82 METAP1 (0.39) METAP1HDAC1HDAC3HDAC4HDAC7
SCHEMBL27602078 0.81 PDE4A (0.40) METAP1HDAC1HDAC3HDAC4HDAC7
SCHEMBL2829976 0.74 LCK (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2829960 0.74 CYP17A1 (0.56) HDAC1HDAC3HDAC2HDAC6NAMPT
SCHEMBL14182618 0.73 TRPV1 (0.53) METAP1HDAC1NAMPTTRPV1
SCHEMBL2832783 0.73 TRPV1 (0.60) METAP1HDAC1NAMPTTRPV1
SCHEMBL27602131 0.73 HDAC1 (0.45) METAP1HDAC1HDAC3HDAC4HDAC7
SCHEMBL2829176 0.73 POLB (0.56) HDAC1HDAC3HDAC2NAMPTMEN1
SCHEMBL2832030 0.73 NAMPT (0.49) METAP1HDAC1NAMPTMEN1KMT2A

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 METAP1 3319/4885HDAC1 2/4885HDAC3 1/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 METAP1 2288/4885HDAC1 1/4885HDAC3 2/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 METAP1 3492/4885HDAC1 2/4885HDAC3 1/4885

“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.