SCHEMBL2185253

SCHEMBL2185253

Cn1ccc2cc(-c3c[c]ccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
PRKCI P41743 1/20 0.45
FAAH O00519 9/20 0.41
CYP2A6 P11509 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MAOB P27338 1/20 0.39
APP P05067 1/20 0.39
FASN P49327 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL3141145 0.80 PRKCI (0.50) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL5256926 0.80 HSD11B1 (0.69) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL30241674 0.80 HSD11B1 (0.69) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL11961043 0.76 HSD11B1 (0.63) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL17179248 0.75 HSD11B1 (0.58) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL5518147 0.75 GRM4 (0.44) PRKCIFAAHCYP2A6MAOB
Toluene SCHEMBL27751722 0.74 HSD11B1 (0.70) HSD11B1PRKCIFAAHCYP2A6FASN
SCHEMBL981889 0.74 PRKCI (0.66) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL13786855 0.73 HSD11B1 (0.55) HSD11B1PRKCIFAAHCYP2A6LRRK2
SCHEMBL23187978 0.72 CYP11B2 (0.64) HSD11B1FAAHCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP 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
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO 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
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 CN 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-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 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
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 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 (7 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 HSD11B1 2473/4885PRKCI 2154/4885FAAH 357/4885
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 HSD11B1 1120/4885PRKCI 2609/4885FAAH 262/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 HSD11B1 1420/4885PRKCI 3480/4885FAAH 2496/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 HSD11B1 1270/4885PRKCI 374/4885FAAH 914/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 HSD11B1 3969/4885PRKCI 642/4885FAAH 2449/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HSD11B1 2429/4885PRKCI 2822/4885FAAH 2767/4885
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 HSD11B1 2166/4885PRKCI 2808/4885FAAH 1602/4885

“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.