SCHEMBL2198138

SCHEMBL2198138

OC(c1cccnc1)c1c(-c2ccc(Cl)s2)noc1-c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.36
CYP17A1 P05093 1/20 0.36
BRD4 O60885 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 2/20 0.34
PDE10A Q9Y233 1/20 0.34
KCNA5 P22460 4/20 0.33
KCND3 Q9UK17 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2197776 0.91 CYP2A6 (0.43) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2201687 0.90 CYP2A6 (0.44) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2229922 0.89 KCNA5 (0.44) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2198611 0.89 CYP2A6 (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2198969 0.89 CYP2A6 (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2197807 0.87 CYP2A6 (0.39) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2199961 0.86 CYP2A6 (0.36) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2194894 0.85 ATM (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2199227 0.81 CYP19A1 (0.36) CYP2A6SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL2198140 0.80 SMN1; SMN2 (0.39) SMN1; SMN2LMNAL3MBTL1TSHRGAA

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 36 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-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-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-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 CYP2A6 84/4885SMN1; SMN2 2136/4885LMNA 3242/4885
US-20100179059-A1 Fungicidal Mixtures ARSA, AADAC, TYR CYP2A6 915/4885SMN1; SMN2 3779/4885LMNA 3497/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 CYP2A6 97/4885SMN1; SMN2 2387/4885LMNA 3361/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CYP2A6 1430/4885SMN1; SMN2 4879/4885LMNA 4574/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 CYP2A6 96/4885SMN1; SMN2 2646/4885LMNA 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.