SCHEMBL1885505

SCHEMBL1885505

Cn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)NO)c3)cc2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.73
HDAC3 O15379 13/20 0.73
HDAC2 Q92769 13/20 0.73
HDAC10 Q969S8 11/20 0.73
HDAC11 Q96DB2 11/20 0.73
HDAC9 Q9UKV0 11/20 0.73
KDM1A O60341 1/20 0.73
HDAC6 Q9UBN7 13/20 0.61
HDAC8 Q9BY41 11/20 0.60
HDAC4 P56524 10/20 0.47
HDAC7 Q8WUI4 10/20 0.47
HDAC5 Q9UQL6 10/20 0.47
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
INSR P06213 1/20 0.43
PDGFRB P09619 1/20 0.43
ESR1 P03372 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL1885509 1.00 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL12438756 0.90 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC10HDAC11
Hydrochloric Acid SCHEMBL1889091 0.89 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC10HDAC11
Hydrochloric Acid SCHEMBL1889089 0.89 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL8452272 0.89 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC10HDAC11
Hydrochloric Acid SCHEMBL1888629 0.88 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC10HDAC11
Hydrochloric Acid SCHEMBL1888631 0.88 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3132141 0.88 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3132128 0.88 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3140824 0.88 HDAC1 (0.61) 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 42 patents — showing the first 20. 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 claimed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US claimed
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 claimed
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP claimed
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 claimed
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP claimed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 WO claimed
US-12285410-B2 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2025-04-29 US disclosed
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment 4SC AG (DE) 2023-06-29 US disclosed
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-05-20 US disclosed
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2021-04-22 US disclosed
WO-2021064188-A1 COMBINATION COMPRISING HDAC INHIBITOR, CTLA-4 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-04-08 WO disclosed
EP-3781159-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-02-24 EP 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-2100878-A1 Novel method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2009-09-16 EP disclosed
EP-2100878-A1 Novel method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2009-09-16 EP 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 (6 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-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER HDAC8, TLR8, TLR7 HDAC1 14/4885HDAC3 13/4885HDAC2 16/4885
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-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 HDAC1 2/4885HDAC3 4/4885HDAC2 8/4885
US-12285410-B2 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 HDAC1 2/4885HDAC3 4/4885HDAC2 8/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC2 3/4885
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC3 2/4885HDAC2 11/4885

“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.