SCHEMBL505449

SCHEMBL505449

CCCCCOc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.78
CYP1A2 P05177 1/20 0.78
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
F2RL3 Q96RI0 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA5A P35218 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL31492097 1.00 APP (0.78) APPCYP1A2CA12CA1CA2
SCHEMBL16069679 0.98 APP (0.81) APPCYP1A2CA12CA1CA2
SCHEMBL1104928 0.91 APP (0.69) APPCYP1A2CA12CA1CA2
Ethoxyresorufin SCHEMBL104497 0.88 APP (1.00) APPCYP1A2CA12CA1CA6
Ethoxyresorufin SCHEMBL31079400 0.88 APP (1.00) APPCYP1A2CA12CA1CA6
SCHEMBL10167880 0.87 APP (1.00) APPCYP1A2
SCHEMBL16196000 0.87 APP (0.80) APPCYP1A2CA12CA1CA2
SCHEMBL10167882 0.86 APP (1.00) APPCYP1A2
SCHEMBL10167874 0.85 APP (1.00) APPCYP1A2
SCHEMBL23625199 0.84 APP (0.71) APPCYP1A2CA12CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
CN-113293150-A Mutant enzymes 牛津大学科技创新有限公司 2021-08-24 CN disclosed
CN-105441397-B Mutant enzymes 牛津大学科技创新有限公司 2021-03-30 CN disclosed
US-10638734-B2 Multipotent adult stem cells, sources thereof, methods of obtaining and maintaining same, methods of differentiation thereof, methods of use thereof and cells derived thereof ABT HOLDING COMPANY (US) 2020-05-05 US disclosed
CN-105467765-B Photosensitive composition, method for producing cured film, and use thereof 富士胶片株式会社 2020-04-24 CN disclosed
CN-105467766-B Curable composition, cured film, organic electroluminescent display device, liquid crystal display device, and touch panel display device 富士胶片株式会社 2020-04-07 CN disclosed
CN-106575078-B Photosensitive composition, cured film and method for producing the same, touch panel and display device thereof, liquid crystal display device, and organic EL display device 富士胶片株式会社 2020-02-21 CN disclosed
US-10495631-B2 In vitro model of macrosteatotic (fatty) liver RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-12-03 US disclosed
US-10286421-B2 Photosensitive composition, method for producing cured product, cured film, display device, and touch panel FUJIFILM CORPORATION (JP) 2019-05-14 US disclosed
US-5849727-A Compositions and methods for altering the biodistribution of biological agents BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-12-15 US disclosed
WO-1998003171-A2 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 1998-01-29 WO disclosed
WO-1997043448-A2 ANALYSIS OF EXPRESSION OF RAT CYTOCHROME P450 ISOENZYMES AND PHASE II CONJUGATING ENZYMES G.D. SEARLE & CO. (US) 1997-11-20 WO disclosed
WO-1997035994-A2 CYTOCHROME P450 TRANSDUCING RETROVIRAL VECTORS BAVARIAN NORDIC RESEARCH INSTITUTE A/S (DK) 1997-10-02 WO disclosed
WO-1996001426-A1 HEPATOCYTE TEST KIT W.R. GRACE & CO.-CONN. (US) 1996-01-18 WO disclosed
US-5474757-A Administering diallyl sulfone to prevent metabolism of acetaminophen into hepatotoxic metabolites RUTGERS UNIVERSITY (US) 1995-12-12 US disclosed
WO-1994008628-A1 PREVENTION OF ACETAMINOPHEN OVERDOSE TOXICITY WITH ORGANOSULFUR COMPOUNDS RUTGERS UNIVERSITY (US) 1994-04-28 WO disclosed
US-5242805-A Useful in directingcells producing enzymes that hydrolyze the glycoside MOLECULAR PROBES, INC. (US) 1993-09-07 US disclosed
WO-1993004074-A1 LONG WAVELENGTH LIPOPHILIC FLUOROGENIC GLYCOSIDASE SUBSTRATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed
WO-1992014817-A1 IN VIVO ASSAY SYSTEMS FOR METABOLIC ROUTES IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1992-09-03 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 (2 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS APP 3721/4885CYP1A2 2469/4885CA12 3185/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 APP 3490/4885CYP1A2 4154/4885CA12 3966/4885

“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.