Sugi Predict

Sugi Predict / Compounds / SCHEMBL3117221

SCHEMBL3117221

SCHEMBL3117221

OC(c1cccnc1)c1c(-c2cccc(C(F)(F)F)c2)noc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 5/20 0.54
▸ KCNH2 Q12809 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL2200466 0.96 KCNA5 (0.56) KCNA5KCNH2SMN1; SMN2PIM1NPY5R
SCHEMBL2198590 0.92 KCNA5 (0.51) KCNA5KCNH2SMN1; SMN2PIM1KMT2A
SCHEMBL2200108 0.90 KCNA5 (0.51) KCNA5KCNH2SMN1; SMN2PIM1NPY5R
SCHEMBL2198676 0.89 KMT2A (0.52) KCNA5SMN1; SMN2KMT2AMEN1NPY5R
SCHEMBL2199150 0.89 KCNA5 (0.50) KCNA5KCNH2SMN1; SMN2PIM1NPY5R
SCHEMBL2197822 0.88 KCNA5 (0.49) KCNA5KCNH2SMN1; SMN2PIM1NPY5R
SCHEMBL2259252 0.88 KCNA5 (0.48) KCNA5KCNH2SMN1; SMN2PIM1NPY5R
SCHEMBL2194726 0.86 KCNA5 (0.46) KCNA5KCNH2SMN1; SMN2NPY5RIP6K1
SCHEMBL2198216 0.85 KCNA5 (0.50) KCNA5KCNH2SMN1; SMN2PIM1NPY5R
SCHEMBL2468729 0.85 KCNA5 (0.44) KCNA5KCNH2SMN1; SMN2PIM1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 — — WO disclosed
WO-2013007550-A1 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-17 — — WO disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 — — US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 — — US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 — — US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 — — US disclosed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 — — US disclosed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 — — US disclosed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 — — US disclosed
WO-2010069881-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — WO disclosed
EP-2170071-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-04-07 — — EP disclosed
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 — — WO disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 — — US disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 — — US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 — — US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 — — US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 — — US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 — — 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 (4 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-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES CYP4X1, CYP51A1, CYP3A7 KCNA5 850/4885KCNH2 886/4885SMN1; SMN2 2136/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR KCNA5 127/4885KCNH2 82/4885SMN1; SMN2 3779/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 760/4885KCNH2 841/4885SMN1; SMN2 2387/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT KCNA5 1858/4885KCNH2 3309/4885SMN1; SMN2 4879/4885

“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.