SCHEMBL2997069

SCHEMBL2997069

Cn1nc(C(F)F)c(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.44
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
PTGER4 P35408 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL29445395 1.00 CHRM3 (0.44) CHRM3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29505218 0.89 LMNA (0.44) CHRM3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3000362 0.89 LMNA (0.44) CHRM3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6121314 0.87 HTT (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2998458 0.86 CHRM3 (0.44) CHRM3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29445384 0.85 CHRM3 (0.46) CHRM3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1134827 0.85 CHRM3 (0.46) CHRM3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1085492 0.85 ALDH1A1 (0.48) ALDH1A1RAB9AKDM4ELMNAHTT
SCHEMBL29445414 0.83 LMNA (0.51) CHRM3ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2997208 0.83 LMNA (0.51) CHRM3ALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954214-A1 MULTIPURPOSE BIOLOGICAL COMPOSITIONS Agrivalle Brasil Industria e Comércio de Produtos Agrícolas Ltda (BR) 2022-02-16 EP claimed
US-10834921-B2 Foam formulations and apparatus for delivery FMC CORPORATION (US) 2020-11-17 US claimed
US-20170215418-A1 Controlling Red Rice with Mesotrione FMC CORP (US) 2017-08-03 US claimed
US-20170196226-A1 BACILLUS AMYLOLIQUEFACIENS RTI472 COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE FMC CORPORATION 2017-07-13 US claimed
US-9635854-B2 Controlling red rice with mesotrione FMC CORPORATION (US) 2017-05-02 US claimed
US-9622484-B2 Microbial compositions and methods of use for benefiting plant growth and treating plant disease FMC CORPORATION (US) 2017-04-18 US claimed
US-9439435-B2 Method for controlling weeds using formulations containing fluthiacet-methyl and HPPD herbicides FMC CORPORATION (US) 2016-09-13 US claimed
US-20160183537-A1 BACILLUS AMYLOLIQUEFACIENS RTI472 COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE FMC CORPORATION 2016-06-30 US claimed
US-20160186273-A1 BACILLUS AMYLOLIQUEFACIENS RTI301 COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE FMC CORPORATION 2016-06-30 US claimed
US-20160183538-A1 MICROBIAL COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE FMC CORPORATION 2016-06-30 US claimed
US-20150313235-A1 Method for Controlling Weeds Using Formulations Containing Fluthiacet-Methyl and HPPD Herbicides FMC CORP (US) 2015-11-05 US claimed
EP-2285779-B1 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-03-27 EP claimed
US-8350046-B2 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-01-08 US claimed
US-20110054183-A1 Method For Manufacturing Aryl Carboxamides BASF SE 2011-03-03 US claimed
US-20100197741-A1 Ternary Fungicidal Compositions Comprising Boscalid and Chlorothalonil BASF SE (DE) 2010-08-05 US claimed
EP-2205082-A1 TERNARY FUNGICIDAL COMPOSITIONS COMPRISING BOSCALID AND CHLOROTHALONIL BASF SE (DE) 2010-07-14 EP claimed
US-20100048403-A1 Method of inducing virus tolerance of plants BASF SE (DE) 2010-02-25 US claimed
EP-2109362-A2 METHOD OF INDUCING VIRUS TOLERANCE OF PLANTS BASF SE (DE) 2009-10-21 EP claimed
WO-2009040397-A1 TERNARY FUNGICIDAL COMPOSITIONS COMPRISING BOSCALID AND CHLOROTHALONIL BASF SE (DE) 2009-04-02 WO claimed
WO-2008098928-A2 METHOD OF INDUCING VIRUS TOLERANCE OF PLANTS BASF SE (DE) 2008-08-21 WO 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 (6 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-20160186273-A1 BACILLUS AMYLOLIQUEFACIENS RTI301 COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE BTF3, MYB, AGXT CHRM3 489/4885ALDH1A1 3948/4885RAB9A 2307/4885
US-20110054183-A1 Method For Manufacturing Aryl Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, CBR1 CHRM3 910/4885ALDH1A1 2124/4885RAB9A 3848/4885
US-20170196226-A1 BACILLUS AMYLOLIQUEFACIENS RTI472 COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE MYB, BTF3, NRDC CHRM3 487/4885ALDH1A1 4545/4885RAB9A 4301/4885
US-20100197741-A1 Ternary Fungicidal Compositions Comprising Boscalid and Chlorothalonil CBR3, CBX3, BRD3 CHRM3 664/4885ALDH1A1 2714/4885RAB9A 3905/4885
US-20100048403-A1 Method of inducing virus tolerance of plants CBR3, CBR1, CYC1 CHRM3 1239/4885ALDH1A1 2425/4885RAB9A 4255/4885
US-20160183537-A1 BACILLUS AMYLOLIQUEFACIENS RTI472 COMPOSITIONS AND METHODS OF USE FOR BENEFITING PLANT GROWTH AND TREATING PLANT DISEASE MYB, BTF3, NRDC CHRM3 487/4885ALDH1A1 4545/4885RAB9A 4301/4885

“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.