SCHEMBL1804366

SCHEMBL1804366

FC(F)(F)c1c[c]cc(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20600843 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL13737310 0.83 CYP3A4 (0.31) ALDH1A1
SCHEMBL13735952 0.76 TLR8 (0.36) ALDH1A1
SCHEMBL578224 0.75 IDH1 (0.37)
SCHEMBL27076920 0.73 HTR1A (0.31)
SCHEMBL73269 0.69 LOXL2 (0.35) TRPV4CA2CHKA
SCHEMBL3291771 0.67 IDH1 (0.39) HSP90AA1HSP90AB1TRPV4CA2CHKA
SCHEMBL6137289 0.65 IDH1 (0.36) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL6266188 0.65 MEN1 (0.35) HSP90AA1HSP90AB1
SCHEMBL3291350 0.65 CES2 (0.44) HSP90AA1HSP90AB1CA2CHKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790390-A1 METHODS OF APPLYING ONE OR MORE CERTAIN HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS TO CONTROL DAMAGE ON PLANTS, PROPAGATION MATERIAL THEREOF, AND PLANT DERIVED PRODUCTS Syngenta Crop Protection AG (CH) 2021-03-17 EP claimed
US-20210068395-A1 METHODS OF APPLYING ONE OR MORE CERTAIN HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS TO CONTROL DAMAGE ON PLANTS, PROPAGATION MATERIAL THEREOF, AND PLANT DERIVED PRODUCTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-11 US claimed
EP-3761791-A1 USE OF HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES IN PLANT PROTECTION Bayer Aktiengesellschaft (DE) 2021-01-13 EP claimed
US-20200404919-A1 USE OF HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES IN PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2020-12-31 US claimed
EP-3452460-B1 HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2020-02-12 EP claimed
WO-2019215198-A1 METHODS OF APPLYING ONE OR MORE CERTAIN HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS TO CONTROL DAMAGE ON PLANTS, PROPAGATION MATERIAL THEREOF, AND PLANT DERIVED PRODUCTS SYNGENTA CROP PROTECTION AG (CH) 2019-11-14 WO claimed
WO-2019170626-A1 USE OF HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES IN PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 WO claimed
US-10287276-B2 Heteroaryl-1,2,4-triazole and heteroaryl-tetrazole compounds for controlling ectoparasites ELANCO TIERGESUNDHEIT AG (CH) 2019-05-14 US claimed
EP-3452460-A1 HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES Elanco Tiergesundheit AG (CH) 2019-03-13 EP claimed
US-20180186778-A1 HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2018-07-05 US claimed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US claimed
WO-2014131837-A1 ISOXALINE DERIVATIVES FOR USE IN COTTON PLANTS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-04 WO claimed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US claimed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP claimed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO claimed
US-8158560-B2 Insecticidal arylpyrroline compounds BAYER CROPSCIENCE AG (DE) 2012-04-17 US claimed
US-20110118319-A1 Insecticidal Arylpyrroline Compounds BAYER CROPSCIENCE AG (DE) 2011-05-19 US claimed
US-7772267-B2 or other nuclear hormone receptors inhibitors; 4-(7-Hydroxy-1,3-dioxo-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile; age-related diseases: sarcopenia, muscular atrophy, lipodistrophy, long-term critical illness, chronic fatigue syndrome, bone fracture repair BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US claimed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US claimed
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20210068395-A1 METHODS OF APPLYING ONE OR MORE CERTAIN HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS TO CONTROL DAMAGE ON PLANTS, PROPAGATION MATERIAL THEREOF, AND PLANT DERIVED PRODUCTS MT-CO2, CYP4Z1, MT-CO3 HSP90AA1 1980/4885HSP90AB1 2022/4885TRPV4 4053/4885
US-20200404919-A1 USE OF HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES IN PLANT PROTECTION CYP3A43, TCOF1, TARS2 HSP90AA1 2795/4885HSP90AB1 2896/4885TRPV4 3400/4885
US-10287276-B2 Heteroaryl-1,2,4-triazole and heteroaryl-tetrazole compounds for controlling ectoparasites CBR3, HRH4, H1-5 HSP90AA1 4076/4885HSP90AB1 4130/4885TRPV4 2183/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 HSP90AA1 2777/4885HSP90AB1 2146/4885TRPV4 4769/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG HSP90AA1 1836/4885HSP90AB1 1901/4885TRPV4 2315/4885
US-20180186778-A1 HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES CBR3, HRH4, H1-5 HSP90AA1 4076/4885HSP90AB1 4130/4885TRPV4 2183/4885
US-20110118319-A1 Insecticidal Arylpyrroline Compounds DDT, LAP3, CYP4X1 HSP90AA1 1073/4885HSP90AB1 1734/4885TRPV4 1316/4885

“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.