SCHEMBL4036224

SCHEMBL4036224

O=Cc1cccc(-c2ccccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
AXL P30530 1/20 0.43
ERN1 O75460 1/20 0.43
NAT1 P18440 2/20 0.43
SCN9A Q15858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL5490744 0.86 TRIM24 (0.52) CYP2A6TRIM24TRIM33ALDH1A1CA12
SCHEMBL13638172 0.85 ALDH1A1 (0.53) TRIM24TRIM33ALDH1A1CA12CA1
SCHEMBL13250832 0.82 TRIM24 (0.53) CYP2A6TRIM24TRIM33ALDH1A1CA12
SCHEMBL23244698 0.81 CYP2A6 (0.52) CYP2A6ERN1SCN9ATNKS2AOC3
SCHEMBL12577712 0.81 BRD4 (0.50) CYP2A6TRIM24TRIM33ALDH1A1CA12
SCHEMBL2563109 0.80 TRIM24 (0.53) TRIM24TRIM33ALDH1A1CA12CA1
SCHEMBL12577714 0.80 ESR1 (0.51) TRIM24TRIM33ALDH1A1CA12CA1
SCHEMBL29628996 0.80 CYP2A6 (0.71) CYP2A6SCN9ATNKS2AOC3KAT6A
SCHEMBL9479255 0.80 CYP2A6 (0.71) CYP2A6SCN9ATNKS2AOC3KAT6A
SCHEMBL29700474 0.79 TRIM24 (0.46) CYP2A6TRIM24TRIM33ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390247-A1 BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-12-07 US disclosed
EP-4257583-A1 BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Institute of Science and Technology (KR) 2023-10-11 EP disclosed
CN-103923060-B Oseltamivir derivative and its preparation method and application SHANDONG UNIVERSITY (CN) 2016-05-25 CN disclosed
US-8883796-B2 Biphenyl derivatives, pharmaceutical composition comprising the same, and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-11 US disclosed
US-20140228568-A1 BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-14 US disclosed
CN-103923060-A Oseltamivir derivative as well as preparation method and application thereof UNIV SHANDONG 2014-07-16 CN disclosed
CN-101413143-B Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST 2013-09-18 CN disclosed
CN-102240278-A Methods, assays and compositions for treating retinol-related diseases SYTERA INC 2011-11-16 CN disclosed
CN-101072555-B Methods, assays and compositions for treating retinol-related diseases SYTERA INC 2011-06-29 CN disclosed
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
CN-100448852-C Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2009-01-07 CN disclosed
CN-101252924-A Methods and compositions for treating ophthalmic conditions via serum retinol, serum retinol binding protein (RBP), and/or serum retinol-RBP modulation SIRION THERAPEUTICS INC (US) 2008-08-27 CN disclosed
CN-101218223-A Benzodioxane and benzodioxolane derivatives and uses thereof WYETH CORP (US) 2008-07-09 CN disclosed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
CN-101129344-A Methods, assays and compositions for treating retinol-related diseases SYTERA INC (US) 2008-02-27 CN disclosed
CN-101072555-A Methods, assays and compositions for treating retinol-related diseases SYTERA INC (US) 2007-11-14 CN disclosed
CN-1747965-A Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2006-03-15 CN disclosed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 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 (3 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 CYP2A6 2038/4885TRIM24 3004/4885TRIM33 3859/4885
US-20140228568-A1 BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF HTR7, HTR6, HTR3B CYP2A6 59/4885TRIM24 4797/4885TRIM33 3683/4885
US-20230390247-A1 BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT HTR7, TPH1, HTR2C CYP2A6 717/4885TRIM24 3909/4885TRIM33 3773/4885

“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.