SCHEMBL4677136

SCHEMBL4677136

Cc1c(CN2CCC(c3ccc(C(=O)Nc4ccccc4NC(=O)O)cc3)CC2)cnn1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.56
HDAC3 O15379 4/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 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
SCHEMBL4673153 0.91 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL10092882 0.89 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4676323 0.83 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4676966 0.80 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4785853 0.76 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
Zabadinostat SCHEMBL29678731 0.74 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC7
Zabadinostat SCHEMBL4785187 0.74 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4675599 0.74 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4678839 0.74 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4677886 0.73 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC4HDAC7

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 7 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-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
EP-1954690-A1 BENZAMIDE COMPOUNDS USEFUL AS HISTONE DEACETYLASE INHIBITORS Astra Zeneca AB (SE) 2008-08-13 EP 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 HDAC1 1/4885HDAC3 5/4885HDAC2 4/4885
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 HDAC1 1/4885HDAC3 5/4885HDAC2 3/4885

“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.