Sugi Predict

Sugi Predict / Compounds / SCHEMBL2196368

SCHEMBL2196368

SCHEMBL2196368

OC(c1cncnc1)c1c(-c2ccc(Cl)s2)noc1-c1cccc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.34
▸ KCNA5 P22460 3/20 0.34
▸ HSD17B1 P14061 5/20 0.33
▸ HSD17B2 P37059 4/20 0.33
▸ PLCG2 P16885 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ TDO2 P48775 1/20 0.30
▸ RORC P51449 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
SCHEMBL2229922 0.90 KCNA5 (0.44) CYP2A6KCNA5TP53POLBMAPT
SCHEMBL2201354 0.84 KCNA5 (0.37) KCNA5PTGS1PTGS2HTR7PLK1
SCHEMBL2195833 0.81 KCNA5 (0.42) CYP2A6KCNA5PLCG2TP53POLB
SCHEMBL2197776 0.78 CYP2A6 (0.43) CYP2A6KCNA5MAPTCYP19A1
SCHEMBL2199030 0.77 CYP2A6 (0.48) CYP2A6KCNA5TP53POLBMAPT
SCHEMBL2198138 0.77 CYP2A6 (0.46) CYP2A6KCNA5CYP19A1
SCHEMBL2195323 0.76 KCNA5 (0.53) KCNA5PTGS1PTGS2TP53POLB
SCHEMBL2198969 0.76 CYP2A6 (0.41) CYP2A6KCNA5POLB
SCHEMBL2197727 0.74 KCNA5 (0.48) KCNA5PTGS1PTGS2TP53POLB
SCHEMBL12211617 0.74 NPSR1 (0.36) KCNA5TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 — — US claimed
US-20100179059-A1 Fungicidal Mixtures BASF SE (DE) 2010-07-15 — — US claimed
EP-2170071-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-04-07 — — EP claimed
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 — — WO claimed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 — — US claimed
EP-1794167-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES Syngenta Limited (GB) 2007-06-13 — — EP claimed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 — — US claimed
WO-2006031631-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2006-03-23 — — WO claimed
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-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-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
EP-1794167-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES Syngenta Limited (GB) 2007-06-13 — — EP disclosed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 — — US disclosed
WO-2006031631-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2006-03-23 — — 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 (5 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 CYP2A6 84/4885KCNA5 850/4885HSD17B1 83/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR CYP2A6 915/4885KCNA5 127/4885HSD17B1 554/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 CYP2A6 97/4885KCNA5 760/4885HSD17B1 94/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CYP2A6 1430/4885KCNA5 1858/4885HSD17B1 524/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 CYP2A6 96/4885KCNA5 750/4885HSD17B1 140/4885

“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.