SCHEMBL4881872

SCHEMBL4881872

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.49
NAMPT P43490 1/20 0.48
LNPEP Q9UIQ6 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 4/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT1 Q99873 1/20 0.41
GRM5 P41594 2/20 0.41
GRM1 Q13255 1/20 0.41
PDK4 Q16654 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL2831127 0.89 NAMPT (0.59) NAMPTGRM5GRM1PDK4BTK
SCHEMBL27602036 0.87 NAMPT (0.49) NAMPTMAPTHDAC1MAPK1GRM5
SCHEMBL1781247 0.84 LNPEP (0.48) NAMPTLNPEPMEN1KMT2APRMT1
SCHEMBL25201639 0.84 NAMPT (0.50) NAMPTLNPEPMAPTMEN1KMT2A
SCHEMBL4878961 0.81 NAMPT (0.44) NAMPTMAPTHDAC1MAPK1GRM5
SCHEMBL21590409 0.80 LNPEP (0.46) NAMPTLNPEPPRMT1GRM5GRM1
SCHEMBL5473100 0.80 NAMPT (0.65) NAMPTMAPTGRM5GRM1PDK4
SCHEMBL12479633 0.79 NAMPT (0.52) NAMPTLNPEPGRM5GRM1PDK4
SCHEMBL22563072 0.79 GRM5 (0.52) HDAC2LNPEPMAPTMEN1KMT2A
SCHEMBL12801757 0.79 LNPEP (0.48) NAMPTLNPEPMAPTMEN1KMT2A

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 8 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
US-20120225907-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-06 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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120225907-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC2 4/4885NAMPT 423/4885LNPEP 2839/4885
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 HDAC2 3/4885NAMPT 431/4885LNPEP 1643/4885

“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.