SCHEMBL2199825

SCHEMBL2199825

CC(C)Oc1ccc(-c2noc(-c3cccc(Cl)c3)c2C(O)c2cccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
CYP3A4 P08684 3/20 0.39
CYP3A5 P20815 2/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCND3 Q9UK17 1/20 0.35
BRD4 O60885 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
SCHEMBL2197845 0.88 KCNA5 (0.47) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL2196685 0.88 KCNA5 (0.42) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL12211391 0.88 KCNA5 (0.45) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL2197727 0.87 KCNA5 (0.48) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL2195323 0.87 KCNA5 (0.53) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL3128109 0.86 CYP2C9 (0.45) KCNA5CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL2198157 0.86 KCNA5 (0.43) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL13267947 0.85 KCNA5 (0.45) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL2195511 0.85 KCNA5 (0.39) KCNA5CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL2199596 0.85 KCNA5 (0.43) KCNA5CYP3A4MAPTSMN1; SMN2TP53

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-7998983-B2 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethysilylisoxazole; crop protection agents to combat or prevent fungal infestations, or to control other pests such as weeds, insects, or acarids SYNGENTA LIMITED (GB) 2011-08-16 US disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 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-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 (4 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 850/4885CYP3A4 9/4885CYP3A5 6/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 760/4885CYP3A4 11/4885CYP3A5 6/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT KCNA5 1858/4885CYP3A4 981/4885CYP3A5 430/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 KCNA5 750/4885CYP3A4 8/4885CYP3A5 6/4885

“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.