SCHEMBL4771765

SCHEMBL4771765

CC(=O)c1ccc(NS(=O)(=O)c2ccc(I)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.53
HDAC4 P56524 11/20 0.53
HDAC1 Q13547 11/20 0.53
HDAC7 Q8WUI4 11/20 0.53
HDAC2 Q92769 11/20 0.53
HDAC10 Q969S8 11/20 0.53
HDAC11 Q96DB2 11/20 0.53
HDAC8 Q9BY41 11/20 0.53
HDAC6 Q9UBN7 11/20 0.53
HDAC9 Q9UKV0 11/20 0.53
HDAC5 Q9UQL6 11/20 0.53
BRD4 O60885 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ITGA1 P56199 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 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
SCHEMBL8242642 0.88 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317017 0.86 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315898 0.84 KDM4E (0.64) KDM4EALDH1A1
SCHEMBL5564141 0.81 BRD4 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5560379 0.81 POLB (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318016 0.79 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315570 0.79 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5336598 0.78 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315984 0.78 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315171 0.78 MAPT (0.74) KDM4EALDH1A1CA12CA9ITGA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959967-A2 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2008-08-27 EP disclosed
WO-2007067995-A2 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
WO-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
WO-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
WO-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
US-20070135438-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 US disclosed
US-20070135438-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 US disclosed
US-20070135438-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US disclosed
US-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC (US) 2007-06-14 US 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-20070135431-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC1, HDAC3 HDAC3 3/4885HDAC4 7/4885HDAC1 2/4885
US-20070135438-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE HDAC6, HDAC3, HDAC1 HDAC3 2/4885HDAC4 7/4885HDAC1 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.