SCHEMBL2197672

SCHEMBL2197672

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)noc1-c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.39
KCND3 Q9UK17 1/20 0.39
CYP19A1 P11511 1/20 0.39
ATM Q13315 2/20 0.38
KMT2A Q03164 1/20 0.38
CYP17A1 P05093 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 2/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.36
SUCNR1 Q9BXA5 2/20 0.34
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2199594 0.96 KCNA5 (0.41) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2198631 0.91 ATM (0.45) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2197035 0.91 ATM (0.45) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2199854 0.90 CYP19A1 (0.44) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2200038 0.88 CYP19A1 (0.40) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2197190 0.87 SMN1; SMN2 (0.47) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2197845 0.86 KCNA5 (0.47) KCNA5KCND3CYP19A1CYP17A1SMN1; SMN2
SCHEMBL2194575 0.86 ATM (0.38) KCNA5KCND3CYP19A1ATMKMT2A
SCHEMBL2196056 0.85 ATM (0.49) ATMKMT2ACYP17A1SMN1; SMN2LMNA
SCHEMBL12424176 0.85 BRD4 (0.43) KCNA5KCND3ATMKMT2ACYP17A1

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 37 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
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-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
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 US disclosed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 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 (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 KCNA5 850/4885KCND3 1175/4885CYP19A1 19/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR KCNA5 127/4885KCND3 871/4885CYP19A1 1523/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 760/4885KCND3 1227/4885CYP19A1 21/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT KCNA5 1858/4885KCND3 2559/4885CYP19A1 598/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 750/4885KCND3 1046/4885CYP19A1 23/4885

“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.