SCHEMBL3133844

SCHEMBL3133844

CN1CCN(c2cc(-c3ccc(S(=O)(=O)n4ccc(C=CC(=O)NOC5CCCCO5)c4)cc3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.42
▸ HDAC3 O15379 4/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ RXRA P19793 1/20 0.37
▸ NMT1 P30419 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ DYRK1A Q13627 4/20 0.33
▸ CLK2 P49760 3/20 0.33
▸ CLK3 P49761 3/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33

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
SCHEMBL3133829 1.00 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3135287 0.93 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3135280 0.93 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3419807 0.92 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3145249 0.92 HDAC1 (0.37) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3133867 0.89 RXRA (0.35) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3133861 0.89 RXRA (0.35) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3418238 0.86 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3418242 0.86 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL296837 0.85 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC10HDAC11

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-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
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 — — EP 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 11/4885HDAC2 3/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC2 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.

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