SCHEMBL3136855

SCHEMBL3136855

CN(C)Cc1ccccc1-c1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.41
▸ CYP2D6 P10635 11/20 0.41
▸ CYP3A4 P08684 7/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36

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
SCHEMBL207285 0.81 GRM2 (0.45) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
SCHEMBL3464186 0.80 DPP4 (0.54) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
Hydrochloric Acid SCHEMBL6048562 0.78 DPP4 (0.52) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
Bromide SCHEMBL27653706 0.78 DPP4 (0.52) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
SCHEMBL21408622 0.78 TAAR1 (0.43) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
SCHEMBL25398438 0.77 DPP4 (0.62) TAAR1
SCHEMBL27588551 0.74 SLC6A4 (0.43) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
SCHEMBL27606426 0.74 CYP1A2 (0.41) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
SCHEMBL27606336 0.74 CYP1A2 (0.40) CYP1A2CYP2D6CYP3A4CLK4ALDH1A1
SCHEMBL2185333 0.74 MAPT (0.37) CLK4ALDH1A1KDM4ETSHRMAPT

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 CYP1A2 2842/4885CYP2D6 3468/4885CYP3A4 2553/4885
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 CYP1A2 1675/4885CYP2D6 2058/4885CYP3A4 2589/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 CYP1A2 3711/4885CYP2D6 4237/4885CYP3A4 3505/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CYP1A2 2191/4885CYP2D6 2738/4885CYP3A4 2185/4885
US-20200261418-A1 HDAC INHIBITOR IN COMBINATION WITH IMMUNE CHECKPOINT MODULATOR FOR CANCER THERAPY HDAC4, HDAC5, HDAC9 CYP1A2 4192/4885CYP2D6 4263/4885CYP3A4 4013/4885
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 CYP1A2 4735/4885CYP2D6 4432/4885CYP3A4 4710/4885

“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.

Send feedback