SCHEMBL2828638

SCHEMBL2828638

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.61
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
ABCB1 P08183 5/20 0.52
DEGS1 O15121 1/20 0.50
HDAC1 Q13547 2/20 0.49
NTRK1 P04629 1/20 0.48
MAPT P10636 1/20 0.47
MAP3K5 Q99683 1/20 0.47
CYP17A1 P05093 1/20 0.47

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
SCHEMBL2829960 0.88 CYP17A1 (0.56) NAMPTNPC1RAB9AHDAC1CYP17A1
SCHEMBL5224586 0.88 NAMPT (0.55) NAMPTHDAC1NTRK1MAPT
SCHEMBL5224230 0.87 NAMPT (0.48) NAMPTMKNK1MKNK2NPC1RAB9A
SCHEMBL2133263 0.87 ABCB1 (0.54) NAMPTMKNK1MKNK2ABCB1HDAC1
SCHEMBL2606716 0.87 NAMPT (0.54) NAMPTMKNK1MKNK2ABCB1HDAC1
SCHEMBL2132251 0.86 ABCB1 (0.56) NAMPTMKNK1MKNK2LMNAABCB1
SCHEMBL2832030 0.86 NAMPT (0.49) NAMPTNPC1RAB9AHDAC1CYP17A1
SCHEMBL8292317 0.85 HDAC1 (0.56) NAMPTMKNK1MKNK2ABCB1HDAC1
SCHEMBL2828932 0.85 NAMPT (0.52) NAMPTABCB1CYP17A1
SCHEMBL2606718 0.83 ABCB1 (0.55) NAMPTMKNK1MKNK2ABCB1HDAC1

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 NAMPT 1141/4885MKNK1 3525/4885MKNK2 3403/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 NAMPT 1033/4885MKNK1 3401/4885MKNK2 3223/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 NAMPT 1040/4885MKNK1 3475/4885MKNK2 3321/4885

“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.