SCHEMBL3137313

SCHEMBL3137313

O=C(/C=C/c1ccn(S(=O)(=O)c2cccc(-c3ccc(OCCN4CCCC4)cc3)c2)c1)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HRH3 Q9Y5N1 6/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
MAOB P27338 3/20 0.36
KDR P35968 2/20 0.36
LTA4H P09960 3/20 0.35
KCNH2 Q12809 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH1 P35367 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35

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
SCHEMBL3137324 1.00 HDAC3 (0.37) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL3141710 0.96 BMPR1B (0.38) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL3141703 0.96 BMPR1B (0.38) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL3140327 0.95 HDAC1 (0.37) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL3140313 0.95 HDAC1 (0.37) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL3135830 0.93 BMPR1B (0.42) HRH3KDRBMPR1BBMPR1ATGFBR1
SCHEMBL3135813 0.93 BMPR1B (0.42) HRH3KDRBMPR1BBMPR1ATGFBR1
SCHEMBL3150132 0.87 HDAC1 (0.38) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL3150150 0.87 HDAC1 (0.38) HDAC3KDM1AHDAC1HDAC2HDAC10
SCHEMBL1044267 0.87 HDAC1 (0.41) HDAC3KDM1AHDAC1HDAC2HDAC10

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 HDAC3 11/4885KDM1A 87/4885HDAC1 1/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC3 2/4885KDM1A 46/4885HDAC1 1/4885

“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.