SCHEMBL2829976

SCHEMBL2829976

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2nc(NCCCN3CCCCC3)nc3ccsc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.40
KDR P35968 3/20 0.40
MAPK14 Q16539 3/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CHRNA7 P36544 3/20 0.39
KCNH2 Q12809 3/20 0.39
JAK3 P52333 1/20 0.39
ACP1 P24666 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HDAC1 Q13547 2/20 0.38
TRPV4 Q9HBA0 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL2832268 0.80 MKNK1 (0.51) LCKKDRMAPK14ACHEBACE1
SCHEMBL2831952 0.76 MAPT (0.41) LCKHDAC1HDAC3HDAC4HDAC7
SCHEMBL27602078 0.76 PDE4A (0.40) LCKADORA2AHDAC1HDAC3HDAC4
SCHEMBL2832280 0.76 METAP1 (0.39) LCKHDAC1HDAC3HDAC4HDAC7
SCHEMBL2829380 0.74 METAP1 (0.45) LCKHDAC1HDAC3HDAC4HDAC7
SCHEMBL2475817 0.73 HDAC1 (0.60) ACHEBACE1CD274HDAC1HDAC3
SCHEMBL2473832 0.71 HDAC1 (0.52) CD274HDAC1
SCHEMBL11988201 0.70 HRH3 (0.43) ACP1ADORA2AADORA2B
SCHEMBL2828988 0.70 MCHR1 (0.48) KDRCD274HDAC1
SCHEMBL2831688 0.69 HDAC1 (0.71) MAPK14KCNH2HDAC1HDAC3HDAC6

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 LCK 4435/4885KDR 4226/4885MAPK14 3735/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 LCK 4408/4885KDR 4173/4885MAPK14 3243/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 LCK 4456/4885KDR 4263/4885MAPK14 3654/4885

“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.