SCHEMBL2199974

SCHEMBL2199974

OC(c1cccnc1)c1c(-c2ccc(F)cc2F)noc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
KCNA5 P22460 2/20 0.36
KCND3 Q9UK17 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP17A1 P05093 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAPK14 Q16539 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HSD11B1 P28845 1/20 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
SCHEMBL2197749 0.94 ATM (0.38) ATMKCNA5CYP17A1KCNH2SMN1; SMN2
SCHEMBL2194575 0.92 ATM (0.38) ATMKCNA5KCND3CYP19A1CYP17A1
SCHEMBL29369392 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL3114118 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL2444831 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL29367523 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL29360928 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL2471057 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL2444825 0.91 ATM (0.39) ATMKCNA5KCND3CYP19A1MAPK14
SCHEMBL2198201 0.90 KCNA5 (0.45) ATMKCNA5KCND3KCNH2MAPK14

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 40 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
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 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-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
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-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 ATM 3478/4885KCNA5 850/4885KCND3 1175/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR ATM 4752/4885KCNA5 127/4885KCND3 871/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 ATM 3589/4885KCNA5 760/4885KCND3 1227/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT ATM 2678/4885KCNA5 1858/4885KCND3 2559/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 ATM 3256/4885KCNA5 750/4885KCND3 1046/4885

“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.