SCHEMBL718167

SCHEMBL718167

N#Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.35
BACE2 Q9Y5Z0 3/20 0.34
PGR P06401 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.32
CNR2 P34972 1/20 0.32
APP P05067 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.31
LRRK2 Q5S007 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL30016435 1.00 BACE1 (0.35) BACE1BACE2PGRCYP11B1CYP11B2
SCHEMBL3978545 0.92 BACE1 (0.36) BACE1BACE2PGRCYP11B1CYP11B2
SCHEMBL4751161 0.92 BACE1 (0.36) BACE1BACE2PGRCYP11B1CYP11B2
SCHEMBL3114036 0.92 CYP11B2 (0.43) CYP11B1CYP11B2
SCHEMBL1610360 0.89 CYP11B1 (0.36) BACE1BACE2PGRCYP11B1CYP11B2
SCHEMBL3121012 0.89 CYP11B2 (0.39) CYP11B1CYP11B2RECQLPKM
SCHEMBL3123674 0.87 RECQL (0.32) CYP11B1CYP11B2RECQLPKMKDM4E
SCHEMBL3116717 0.87 RECQL (0.32) CYP11B1CYP11B2RECQLPKMKDM4E
SCHEMBL3063198 0.87 RECQL (0.32) CYP11B1CYP11B2RECQLPKMKDM4E
SCHEMBL1468094 0.87 KDM4E (0.34) CYP11B1CYP11B2RECQLPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246825-B Isoxazoline derivative containing amide structure, preparation method thereof and application of isoxazoline derivative as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-06-07 CN claimed
CN-115246826-A Quaternary ammonium salt isoxazoline compound, preparation thereof and application thereof as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN claimed
CN-115246825-A Isoxazoline derivative containing amide structure, preparation thereof and application of isoxazoline derivative as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN claimed
CN-115246825-B Isoxazoline derivative containing amide structure, preparation method thereof and application of isoxazoline derivative as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-06-07 CN disclosed
CN-115246826-B Quaternary ammonium salt isoxazoline compound, its preparation and application as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-04-12 CN disclosed
CN-115246826-A Quaternary ammonium salt isoxazoline compound, preparation thereof and application thereof as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN disclosed
CN-115246825-A Isoxazoline derivative containing amide structure, preparation thereof and application of isoxazoline derivative as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN disclosed
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-9073910-B2 5-aryl isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-07 US disclosed
US-7897630-B2 5-aryl isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-01 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 US disclosed
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-03 US disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-05-28 US disclosed
EP-1966195-A2 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-10 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed
WO-2007075459-A2 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-05 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 (4 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-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND ADH1C, CYP2E1, ADH1A BACE1 1023/4885BACE2 1395/4885PGR 2604/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA BACE1 4066/4885BACE2 3251/4885PGR 4774/4885
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests PRXL2A, C5, CBR3 BACE1 3993/4885BACE2 3139/4885PGR 2877/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 BACE1 1224/4885BACE2 1775/4885PGR 2542/4885

“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.