SCHEMBL3146249

SCHEMBL3146249

O=C(/C=C/c1ccn(S(=O)(=O)c2ccc(Br)s2)c1)NOC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ LMNA P02545 2/20 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
SCHEMBL3146254 1.00 EPHX2 (0.36) EPHX2HDAC1HDAC6SMN1; SMN2HDAC3
SCHEMBL3140303 0.85 HDAC1 (0.46) EPHX2HDAC1HDAC6HDAC3HDAC8
SCHEMBL3140291 0.85 HDAC1 (0.46) EPHX2HDAC1HDAC6HDAC3HDAC8
SCHEMBL3141301 0.84 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8TGFBR1
SCHEMBL297318 0.84 MMP3 (0.41) HDAC1HDAC3POLBKMT2ATGFBR1
SCHEMBL3141293 0.84 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC8TGFBR1
SCHEMBL297317 0.84 MMP3 (0.41) HDAC1HDAC3POLBKMT2ATGFBR1
SCHEMBL1859943 0.83 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC8KMT2A
SCHEMBL1859942 0.83 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC8KMT2A
SCHEMBL3139908 0.83 KDM4E (0.40) HDAC1HDAC6HDAC3HDAC8POLB

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 EPHX2 3231/4885HDAC1 1/4885HDAC6 17/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 EPHX2 4356/4885HDAC1 1/4885HDAC6 9/4885

“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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