SCHEMBL3149556

SCHEMBL3149556

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccn(S(=O)(=O)c2cccc(-c3ccc(CCN4CCOCC4)cc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.46
HDAC3 O15379 2/20 0.46
KDM1A O60341 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC8 Q9BY41 6/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL3423366 0.95 HDAC1 (0.43) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3145947 0.88 HDAC1 (0.58) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3145957 0.88 HDAC1 (0.58) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3140595 0.87 HDAC1 (0.51) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3136417 0.85 HDAC1 (0.49) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3136410 0.85 HDAC1 (0.49) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3149876 0.85 HDAC1 (0.54) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3145871 0.83 HDAC1 (0.55) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3145880 0.83 HDAC1 (0.55) HDAC1HDAC3KDM1AHDAC2HDAC10
SCHEMBL3423736 0.82 HDAC1 (0.62) HDAC1HDAC3KDM1AHDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US disclosed
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 US disclosed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 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-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 HDAC1 1/4885HDAC3 11/4885KDM1A 87/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885KDM1A 46/4885

“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.