SCHEMBL3329615

SCHEMBL3329615

O=C=Nc1cccc(C(F)(F)C(F)(F)F)c1N=C=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 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
SCHEMBL11878224 0.79 CYP3A4 (0.47) CYP3A4GABRA1GABRB2
SCHEMBL109280 0.77 CYP3A4 (0.62) CYP3A4GABRA1GABRB2
SCHEMBL10624633 0.76 CYP3A4 (0.47) CYP3A4GABRA1GABRB2
SCHEMBL28211238 0.74 GABRA1 (0.45) CYP3A4GABRA1GABRB2
SCHEMBL29648814 0.72 CYP3A4 (0.47) CYP3A4
SCHEMBL9630070 0.72 CYP3A4 (0.52) CYP3A4GABRA1GABRB2
SCHEMBL30625397 0.72 CYP3A4 (0.52) CYP3A4GABRA1GABRB2
SCHEMBL75112 0.72 CYP3A4 (0.47) CYP3A4
SCHEMBL4242346 0.71 CYP3A4 (0.47) CYP3A4GABRA1GABRB2
SCHEMBL59215 0.71 CYP3A4 (0.47) CYP3A4GABRA1GABRB2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023684-B2 Universal spot blender for one-component and two-component clearcoatings BASF COATINGS GMBH (DE) 2018-07-17 — — US claimed
EP-4376997-A1 BIODEGRADABLE MICROCAPSULES International Flavors & Fragrances Inc. (US) 2024-06-05 — — EP disclosed
WO-2023196942-A1 FLEXIBLE LAMINATES INCLUDING POLYURETHANE ADHESIVE COMPOSITIONS AND ENERGY STORAGE DEVICES INCLUDING THE SAME H.B. FULLER COMPANY (US) 2023-10-12 — — WO disclosed
WO-2023009514-A1 BIODEGRADABLE MICROCAPSULES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2023-02-02 — — WO disclosed
US-11351096-B2 Organic compounds GIVAUDAN SA (CH) 2022-06-07 — — US disclosed
CN-114555713-A One-part moisture-curable silicone composition 汉高股份有限及两合公司 2022-05-27 — — CN disclosed
CN-107428785-B Silanes and curable compositions containing silanes as crosslinkers 汉高股份有限及两合公司 2021-05-07 — — CN disclosed
US-20210030639-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2021-02-04 — — US disclosed
EP-3765160-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2021-01-20 — — EP disclosed
CN-111836668-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2020-10-27 — — CN disclosed
CN-111386323-A System for applying base coats and bonding floor coverings 科思创德国股份有限公司 2020-07-07 — — CN disclosed
CN-107360721-B Curable polymeric compositions 汉高股份有限及两合公司 2020-07-03 — — CN disclosed
WO-2019174978-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-09-19 — — WO disclosed
EP-3215103-A1 MICROCAPSULES COMPRISING HYDROXYALKYL CELLULOSE BASF SE (DE) 2017-09-13 — — EP disclosed
WO-2016071153-A1 MICROCAPSULES COMPRISING HYDROXYALKYL CELLULOSE BASF SE (DE) 2016-05-12 — — WO disclosed
US-20100136347-A1 TWO COMPONENT SOLVENTLESS POLYURETHANE LAMINATING ADHESIVES BASED ON 1,4:3,6 DIANHYDROHEXITOLS SIMONS J BRANDON SIMONS 2010-06-03 — — US 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-11351096-B2 Organic compounds AUP1, SAMM50, PCBP1 CYP3A4 767/4885GABRA1 3041/4885GABRB2 3257/4885
US-20210030639-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AUP1, PCBP1, NOTUM CYP3A4 988/4885GABRA1 3534/4885GABRB2 3440/4885

“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.

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