Sugi Predict

Sugi Predict / Compounds / SCHEMBL2197221

SCHEMBL2197221

SCHEMBL2197221

C[Si](C)(C)c1onc(-c2c(Cl)cccc2Cl)c1C(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.42
▸ BRD4 O60885 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KCNA5 P22460 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ KCND3 Q9UK17 1/20 0.35

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
SCHEMBL13351619 0.85 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1LMNAADORA3BRD4
SCHEMBL2197442 0.82 NPC1 (0.41) SMN1; SMN2L3MBTL1LMNABRD4TSHR
SCHEMBL2195317 0.81 ADORA3 (0.42) SMN1; SMN2L3MBTL1LMNAADORA3BRD4
SCHEMBL2196418 0.75 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1LMNAADORA3BRD4
SCHEMBL2198574 0.70 KCNA5 (0.47) SMN1; SMN2L3MBTL1LMNAADORA3BRD4
SCHEMBL2198411 0.68 KCNA5 (0.45) SMN1; SMN2L3MBTL1LMNAKCNA5ALDH1A1
SCHEMBL2199854 0.68 CYP19A1 (0.44) SMN1; SMN2L3MBTL1LMNABRD4TSHR
SCHEMBL2198129 0.68 KCNA5 (0.47) SMN1; SMN2L3MBTL1LMNAADORA3GAA
SCHEMBL2198716 0.68 KCNA5 (0.44) SMN1; SMN2L3MBTL1LMNABRD4GAA
SCHEMBL2195323 0.68 KCNA5 (0.53) SMN1; SMN2L3MBTL1LMNABRD4KCNA5

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 32 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
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 — — 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
EP-2369933-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-10-05 — — EP 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 SMN1; SMN2 2136/4885L3MBTL1 4123/4885LMNA 3242/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR SMN1; SMN2 3779/4885L3MBTL1 211/4885LMNA 3497/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 SMN1; SMN2 2387/4885L3MBTL1 4110/4885LMNA 3361/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT SMN1; SMN2 4879/4885L3MBTL1 4082/4885LMNA 4574/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 SMN1; SMN2 2646/4885L3MBTL1 4390/4885LMNA 2740/4885

“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.