SCHEMBL3149704

SCHEMBL3149704

[c]1ccccc1C1CCc2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
HTR1A P08908 4/20 0.36
SIGMAR1 Q99720 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HTR1D P28221 2/20 0.34
SSTR4 P31391 1/20 0.34
ROCK2 O75116 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3131235 0.83 MAOB (0.37) KDM4EADORA3ARCYP19A1MAOB
Flavane SCHEMBL14394530 0.74 ESR1 (0.51) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
Flavane SCHEMBL29478071 0.74 ESR1 (0.51) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
Flavane SCHEMBL27889134 0.74 ESR1 (0.51) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
Flavane SCHEMBL27595228 0.74 ESR1 (0.51) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
Flavane SCHEMBL123287 0.74 ESR1 (0.51) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3146324 0.73 MAPT (0.45) ADRA2AADRA2BADRA2CKDM4EMAOB
Flavane SCHEMBL28529260 0.73 ESR1 (0.50) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
Flavane SCHEMBL28823768 0.73 ESR1 (0.50) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
Flavane SCHEMBL28394714 0.73 ESR1 (0.50) HTR1ASIGMAR1ADRA2AADRA2BADRA2C

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 27 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-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-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-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-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
CN-101137623-B N-sulphonylpyrroles and use thereof as histone deacetylase inhibitors NYCOMED GMBH 2013-03-27 CN 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
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 CN 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 CA2 2735/4885HTR1A 90/4885SIGMAR1 1423/4885
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 CA2 3933/4885HTR1A 47/4885SIGMAR1 622/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 CA2 2282/4885HTR1A 1823/4885SIGMAR1 420/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CA2 3356/4885HTR1A 1721/4885SIGMAR1 942/4885
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 CA2 671/4885HTR1A 3507/4885SIGMAR1 4583/4885

“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.