SCHEMBL2201354

SCHEMBL2201354

OC(c1cncnc1)c1c(-c2ccc(Cl)cc2)noc1-c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
CYP19A1 P11511 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HTR7 P34969 1/20 0.34
IDO1 P14902 1/20 0.34
PLK1 P53350 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR4A2 P43354 1/20 0.33
RXRG P48443 1/20 0.33
HPGD P15428 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL2197845 0.89 KCNA5 (0.47) KCNA5CYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL2199166 0.84 KCNA5 (0.50) KCNA5GPBAR1CYP19A1PTGS1PTGS2
SCHEMBL2196368 0.84 CYP2A6 (0.34) KCNA5CYP19A1PTGS1PTGS2HTR7
SCHEMBL12211556 0.84 ATM (0.44) GPBAR1CYP19A1PTGS2KMT2AATM
SCHEMBL2197727 0.83 KCNA5 (0.48) KCNA5PTGS1PTGS2KMT2AATM
SCHEMBL2195323 0.83 KCNA5 (0.53) KCNA5PTGS1PTGS2HTR7PLK1
SCHEMBL13267947 0.82 KCNA5 (0.45) KCNA5PLK1TDO2SMN1; SMN2
SCHEMBL12211391 0.82 KCNA5 (0.45) KCNA5PTGS1PTGS2KMT2AATM
SCHEMBL2198088 0.79 KCNA5 (0.43) KCNA5CYP19A1HPGDALDH1A1SMN1; SMN2
SCHEMBL2199596 0.79 KCNA5 (0.43) KCNA5CYP19A1NPC1RAB9ASMN1; SMN2

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 34 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
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-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
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 850/4885GPBAR1 2958/4885CYP19A1 19/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR KCNA5 127/4885GPBAR1 2742/4885CYP19A1 1523/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 760/4885GPBAR1 2998/4885CYP19A1 21/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT KCNA5 1858/4885GPBAR1 2523/4885CYP19A1 598/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 750/4885GPBAR1 3841/4885CYP19A1 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.