SCHEMBL3133808

SCHEMBL3133808

[c]1ccc(-c2cccc(OCCN3CCCC3)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.79
BACE1 P56817 2/20 0.77
HRH3 Q9Y5N1 7/20 0.64
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAP4K4 O95819 1/20 0.51

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
SCHEMBL3133804 0.93 HRH3 (0.70) LTA4HBACE1HRH3KDM4EALDH1A1
SCHEMBL3145768 0.89 LTA4H (0.63) LTA4HBACE1HRH3KDM4ESMN1; SMN2
SCHEMBL3145191 0.88 LTA4H (0.61) LTA4HBACE1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3141086 0.86 LTA4H (0.71) LTA4HBACE1HRH3KDM4ESMN1; SMN2
SCHEMBL3144386 0.84 HRH3 (0.71) LTA4HHRH3KDM4E
SCHEMBL3145215 0.83 LTA4H (0.62) LTA4HBACE1HRH3KDM4ESMN1; SMN2
SCHEMBL3131129 0.83 RAB9A (0.60) LTA4HBACE1HRH3KDM4EMAPK1
SCHEMBL3149199 0.82 ALDH1A1 (0.58) LTA4HBACE1HRH3KDM4ESMN1; SMN2
SCHEMBL21462645 0.81 HRH3 (0.86) LTA4HBACE1HRH3KDM4ESMN1; SMN2
SCHEMBL8266135 0.81 BACE1 (0.77) LTA4HBACE1HRH3KDM4ESMN1; SMN2

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 20 patents. 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-3773554-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2021-02-17 EP disclosed
US-20200261418-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY 4SC AG (DE) 2020-08-20 US disclosed
CN-111432884-A Combination of HDAC inhibitors with immune checkpoint modulators for cancer therapy 4SC股份公司 2020-07-17 CN disclosed
EP-3678740-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY 4SC AG (DE) 2020-07-15 EP disclosed
WO-2019202001-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2019-10-24 WO 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 (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 LTA4H 914/4885BACE1 4667/4885HRH3 79/4885
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 LTA4H 1488/4885BACE1 3705/4885HRH3 57/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 LTA4H 2398/4885BACE1 3406/4885HRH3 318/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 LTA4H 4404/4885BACE1 3232/4885HRH3 110/4885
US-20200261418-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY HDAC4, HDAC5, HDAC9 LTA4H 3249/4885BACE1 4090/4885HRH3 372/4885
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 LTA4H 3208/4885BACE1 1170/4885HRH3 273/4885

“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.