SCHEMBL2155503

SCHEMBL2155503

COc1ccc(-c2cc[c]cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP2A6 P11509 2/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
ERN1 O75460 3/20 0.47
NAAA Q02083 1/20 0.45
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIP5K1C O60331 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
FYN P06241 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDR P35968 3/20 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
SCHEMBL31174412 0.85 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL3754419 0.85 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL13837327 0.82 KCNH2 (0.67) FYNKCNH2
SCHEMBL2034184 0.81 PIK3CD (0.47) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL2037429 0.80 PIK3CD (0.48) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL1422182 0.80 HSD17B1 (0.67) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL2614940 0.80 CYP2A6 (0.58) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL1422493 0.80 MKNK1 (0.59) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL12497850 0.80 MKNK1 (0.59) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL1570069 0.79 HSD17B1 (0.53) MKNK1MKNK2CYP2A6HSD17B1HSD17B2

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
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-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-3781557-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) 2021-02-24 EP disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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 (8 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 MKNK1 1776/4885MKNK2 1770/4885CYP2A6 3230/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MKNK1 854/4885MKNK2 1005/4885CYP2A6 3649/4885
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 MKNK1 3376/4885MKNK2 2850/4885CYP2A6 1449/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 MKNK1 3200/4885MKNK2 2769/4885CYP2A6 4376/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 MKNK1 2936/4885MKNK2 3224/4885CYP2A6 769/4885
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 MKNK1 3179/4885MKNK2 3161/4885CYP2A6 599/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MKNK1 2171/4885MKNK2 1520/4885CYP2A6 3158/4885
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 MKNK1 1790/4885MKNK2 2871/4885CYP2A6 4704/4885

“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.