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SCHEMBL2829960

SCHEMBL2829960

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.56
▸ NAMPT P43490 2/20 0.53
▸ POLB P06746 2/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ FLT3 P36888 2/20 0.47
▸ KIT P10721 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ ITK Q08881 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL2828638 0.88 NAMPT (0.61) CYP17A1NAMPTHDAC1RAB9ANPC1
SCHEMBL3829340 0.86 NAMPT (0.50) CYP17A1NAMPTPOLBHDAC1KMT2A
SCHEMBL5225322 0.86 NAMPT (0.47) CYP17A1NAMPTHDAC1KMT2ATP53
SCHEMBL2477474 0.84 NAMPT (0.54) CYP17A1NAMPTHDAC1HDAC2HDAC6
SCHEMBL14156007 0.84 F10 (0.55) CYP17A1POLBSMN1; SMN2HDAC1HDAC2
SCHEMBL2832783 0.84 TRPV1 (0.60) NAMPTHDAC1MAPK14SMO
SCHEMBL2829176 0.83 POLB (0.56) NAMPTPOLBHDAC1HDAC2KMT2A
SCHEMBL2832030 0.83 NAMPT (0.49) CYP17A1NAMPTHDAC1KMT2ARAB9A
SCHEMBL2830669 0.83 HDAC1 (0.47) CYP17A1NAMPTSMN1; SMN2HDAC1KMT2A
SCHEMBL13949629 0.82 MEN1 (0.54) NAMPTHDAC1HDAC2KMT2ARAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735429-B2 Benzamide compounds useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2014-05-27 — — US disclosed
EP-1954690-B1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2013-05-15 — — EP disclosed
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-8207202-B2 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase ASTRAZENECA AB (SE) 2012-06-26 — — 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-20080269294-A1 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase ASTRAZENECA AB (SE) 2008-10-30 — — US disclosed
WO-2007045844-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2007-04-26 — — WO 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 (4 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-20080269294-A1 N-(2-aminophenyl)-4-{1-[(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}benzamide, for example; use as an antiproliferative agent in the prevention or treatment of tumors or other proliferative conditions, which are sensitive to the inhibition of histone deacetylase HDAC1, HDAC5, HDAC2 CYP17A1 1492/4885NAMPT 431/4885POLB 1946/4885
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 CYP17A1 2074/4885NAMPT 1141/4885POLB 298/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CYP17A1 2887/4885NAMPT 1033/4885POLB 746/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 CYP17A1 2103/4885NAMPT 1040/4885POLB 325/4885

“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.