SCHEMBL2197522

SCHEMBL2197522

OC(c1cccnc1)c1c(-c2ccc(F)c(F)c2F)noc1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
CYP17A1 P05093 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 4/20 0.35
KCND3 Q9UK17 1/20 0.35
ATM Q13315 1/20 0.35
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 3/20 0.32
PDE10A Q9Y233 1/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 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
SCHEMBL2198328 0.89 KCNA5 (0.45) CYP17A1SMN1; SMN2LMNAL3MBTL1KCNA5
SCHEMBL2198584 0.89 ATM (0.40) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2199974 0.88 ATM (0.38) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2199854 0.86 CYP19A1 (0.44) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2198613 0.85 NPC1 (0.41) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2197035 0.85 ATM (0.45) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2198631 0.85 ATM (0.45) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2194832 0.85 CYP19A1 (0.40) CYP19A1SMN1; SMN2KCNA5KCND3MAPT
SCHEMBL2198129 0.84 KCNA5 (0.47) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2200424 0.84 ATM (0.44) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1

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 12 patents. 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-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-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-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
WO-2010069881-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO 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-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 CYP19A1 19/4885CYP17A1 28/4885SMN1; SMN2 2136/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 CYP19A1 21/4885CYP17A1 29/4885SMN1; SMN2 2387/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CYP19A1 598/4885CYP17A1 482/4885SMN1; SMN2 4879/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 CYP19A1 23/4885CYP17A1 46/4885SMN1; SMN2 2646/4885

“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.