SCHEMBL3146302

SCHEMBL3146302

[c]1cccc(-c2ccc(OCCCN3CCOCC3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.65
HRH1 P35367 2/20 0.65
HRH2 P25021 1/20 0.65
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
MAPK1 P28482 3/20 0.59
KCNH2 Q12809 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
HTR2A P28223 1/20 0.59
SCN1A P35498 1/20 0.59
HTR2B P41595 1/20 0.59
SCN2A Q99250 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
SCN3A Q9NY46 1/20 0.59
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL3141348 0.94 NPC1 (0.71) HRH3HRH1HRH2RAB9ANPC1
SCHEMBL3141482 0.88 HRH3 (0.72) HRH3HRH1HRH2KCNH2
SCHEMBL3146046 0.88 ALDH1A1 (0.56) HRH3HRH1HRH2MAPK1KCNH2
SCHEMBL3149892 0.86 RAB9A (0.71) HRH3HRH1RAB9ANPC1MAPK1
SCHEMBL3141155 0.85 HRH3 (0.73) HRH3HRH1HRH2RAB9ANPC1
SCHEMBL3165091 0.85 HRH3 (0.58) HRH3HRH1HRH2MAPK1KCNH2
SCHEMBL11899308 0.85 RAB9A (0.83) HRH3HRH1HRH2RAB9ANPC1
SCHEMBL3142254 0.82 SIGMAR1 (0.58) HRH3HRH1HRH2RAB9ANPC1
SCHEMBL3149207 0.82 LTA4H (0.71) HRH3HRH1HRH2RAB9ANPC1
SCHEMBL3133916 0.81 LTA4H (0.55) RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3773554-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2021-02-17 EP disclosed
CN-112105611-A Pharmaceutical combination comprising a Histone Deacetylase (HDAC) inhibitor and a TLR7 agonist and/or a TLR8 agonist for the treatment of cancer 4SC股份公司 2020-12-18 CN disclosed
CN-112055589-A Combination comprising an HDAC inhibitor, a LAG-3 inhibitor and a PD-1 inhibitor or a PD-L1 inhibitor for the treatment of cancer 4SC股份公司 2020-12-08 CN disclosed
CN-112004535-A Combination comprising an HDAC inhibitor and a CD137 agonist for cancer therapy 4SC股份公司 2020-11-27 CN disclosed
WO-2019200238-A1 COMBINATIONS INCLUDING A CPG-C TYPE OLIGONUCLEOTIDE AND A HISTONE DEACETYLASE INHIBITOR FOR TREATING CANCER DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-10-17 WO disclosed
WO-2019185598-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2019-10-03 WO disclosed
WO-2019048629-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY 4SC AG (DE) 2019-03-14 WO disclosed
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 (5 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 HRH3 79/4885HRH1 140/4885HRH2 85/4885
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 HRH3 57/4885HRH1 192/4885HRH2 152/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 HRH3 318/4885HRH1 1062/4885HRH2 979/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HRH3 110/4885HRH1 445/4885HRH2 501/4885
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 HRH3 273/4885HRH1 725/4885HRH2 1057/4885

“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.