SCHEMBL2832030

SCHEMBL2832030

Cc1ccc(-c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
HDAC1 Q13547 3/20 0.47
METAP1 P53582 1/20 0.43
F10 P00742 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
CYP17A1 P05093 2/20 0.41
P2RY14 Q15391 1/20 0.41
DHODH Q02127 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL2830669 0.86 HDAC1 (0.47) NAMPTHDAC1METAP1F10NPC1
SCHEMBL2828638 0.86 NAMPT (0.61) NAMPTHDAC1NPC1RAB9ACYP17A1
SCHEMBL2829960 0.83 CYP17A1 (0.56) NAMPTHDAC1F10NPC1RAB9A
SCHEMBL12772560 0.81 NPC1 (0.57) NAMPTHDAC1F10NPC1RAB9A
SCHEMBL2832783 0.80 TRPV1 (0.60) NAMPTHDAC1METAP1BRD9
SCHEMBL5225778 0.80 MEN1 (0.47) NAMPTHDAC1METAP1F10BRD9
SCHEMBL2829176 0.79 POLB (0.56) NAMPTHDAC1F10NPC1RAB9A
SCHEMBL13949629 0.79 MEN1 (0.54) NAMPTHDAC1F10NPC1RAB9A
SCHEMBL1066788 0.79 F10 (0.53) NAMPTHDAC1F10NPC1RAB9A
SCHEMBL3662421 0.79 F10 (0.53) NAMPTHDAC1F10NPC1RAB9A

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 1141/4885HDAC1 2/4885METAP1 3319/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 NAMPT 1033/4885HDAC1 1/4885METAP1 2288/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 NAMPT 1040/4885HDAC1 2/4885METAP1 3492/4885

“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.