SCHEMBL18345853

SCHEMBL18345853

N#Cc1cc(F)cc(C=CC=O)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
EPAS1 Q99814 2/20 0.34
XDH P47989 1/20 0.34
P4HB P07237 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29965999 1.00 ALDH1A1 (0.35) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345851 1.00 ALDH1A1 (0.35) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL28264132 0.83 EPAS1 (0.36) EPAS1
SCHEMBL77140 0.81 EPAS1 (0.37) EPAS1
SCHEMBL29472378 0.81 EPAS1 (0.37) EPAS1
SCHEMBL3920843 0.80 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL3920837 0.80 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345536 0.79 ALDH1A1 (0.35) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345538 0.79 ALDH1A1 (0.35) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL28963596 0.75 ALDH1A1 (0.41) ALDH1A1TRPA1LMNAALOX5MAPK1

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-11851433-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2023-12-26 US disclosed
US-11851433-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2023-12-26 US disclosed
EP-3625234-B1 HEXAHYDROPYRAZOLO [1,2-A] DIAZEPINONES AND RELATED HETEROCYCLES AS INHIBITORS OF RIP-1 KINASE DENALI THERAPEUTICS INC (US) 2023-09-20 EP disclosed
US-20230203027-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION 2023-06-29 US disclosed
US-20230203027-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION 2023-06-29 US disclosed
WO-2023083847-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-05-19 WO disclosed
CN-108602809-B Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) 戴纳立制药公司 2022-09-30 CN disclosed
US-20220024938-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2022-01-27 US disclosed
US-11174262-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2021-11-16 US disclosed
US-20210332058-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2021-10-28 US disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
US-20190300537-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2019-10-03 US disclosed
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) APTUIT (VERONA) S.R.L. (IT) 2018-12-13 US disclosed
WO-2018107060-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2018-06-14 WO disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2017096301-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK 1) DENALI THERAPEUTICS INC. (US) 2017-06-08 WO disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 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 (10 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-20230203027-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK2, RIPK3 ALDH1A1 4315/4885TRPA1 4816/4885LMNA 3512/4885
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) RIPK1, RIPK2, RIPK3 ALDH1A1 4555/4885TRPA1 4105/4885LMNA 2362/4885
US-20210332058-A1 Compounds, Compositions and Methods BAX, CASP3, CASP8 ALDH1A1 3491/4885TRPA1 1254/4885LMNA 107/4885
US-20220024938-A1 Compounds, Compositions and Methods BAX, CASP3, CASP8 ALDH1A1 3491/4885TRPA1 1254/4885LMNA 107/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 ALDH1A1 4555/4885TRPA1 4105/4885LMNA 2362/4885
US-20190300537-A1 Compounds, Compositions and Methods BAX, CASP3, CASP8 ALDH1A1 3491/4885TRPA1 1254/4885LMNA 107/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 ALDH1A1 381/4885TRPA1 2577/4885LMNA 2992/4885
US-11174262-B2 Compounds, compositions and methods BAX, CASP3, CASP8 ALDH1A1 3491/4885TRPA1 1254/4885LMNA 107/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 ALDH1A1 334/4885TRPA1 2709/4885LMNA 3352/4885
US-11851433-B2 Compounds, compositions and methods BAX, CASP3, CASP8 ALDH1A1 3491/4885TRPA1 1254/4885LMNA 107/4885

“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.