SCHEMBL20050366

SCHEMBL20050366

Nc1ccc(F)c(C(=O)NCCC(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MLYCD O95822 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
CYP1A2 P05177 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GSK3B P49841 2/20 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
SCHEMBL20050846 0.85 LOXL2 (0.40) CFTRNPC1RAB9AHTTCA1
SCHEMBL30739605 0.83 NPC1 (0.42) NPC1RAB9AHTTCA1CA2
SCHEMBL20051588 0.83 NPC1 (0.42) NPC1RAB9AHTTCA1CA2
SCHEMBL30739798 0.82 GABRG2 (0.41) NPC1RAB9AHTTCA1CA2
SCHEMBL20051091 0.82 GABRG2 (0.41) NPC1RAB9AHTTCA1CA2
SCHEMBL20050672 0.79 HTT (0.45) NPC1RAB9AHTTCA1CA2
SCHEMBL30739629 0.79 HTT (0.45) NPC1RAB9AHTTCA1CA2
SCHEMBL20051075 0.79 NR3C1 (0.37) CFTRNPC1RAB9ACA1CA2
SCHEMBL20051088 0.78 PRKCZ (0.37) NPC1RAB9AHTTCA1CA2
SCHEMBL30739958 0.78 PRKCZ (0.37) NPC1RAB9AHTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 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 (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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CFTR 1801/4885NPC1 3604/4885RAB9A 558/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CFTR 1162/4885NPC1 3417/4885RAB9A 560/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD CFTR 1162/4885NPC1 3417/4885RAB9A 560/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CFTR 1191/4885NPC1 3361/4885RAB9A 567/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD CFTR 1525/4885NPC1 3385/4885RAB9A 447/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CFTR 1801/4885NPC1 3604/4885RAB9A 558/4885

“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.