SCHEMBL2525504

SCHEMBL2525504

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)coc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 7/20 0.37
CYP3A5 P20815 6/20 0.37
KCNA5 P22460 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCND3 Q9UK17 1/20 0.36
MME P08473 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MET P08581 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL2518564 0.96 CYP17A1 (0.36) CYP19A1CYP17A1CYP3A4CYP3A5KCNA5
SCHEMBL2525502 0.94 CYP19A1 (0.36) CYP19A1CYP17A1CYP3A4KCNA5SMN1; SMN2
SCHEMBL2516959 0.92 KCNA5 (0.44) CYP19A1CYP17A1CYP3A4CYP3A5KCNA5
SCHEMBL2516898 0.92 CYP19A1 (0.38) CYP19A1CYP17A1CYP3A4CYP3A5KCNA5
SCHEMBL2521557 0.90 KCNA5 (0.39) CYP3A4CYP3A5KCNA5SMN1; SMN2BCHE
SCHEMBL2522863 0.89 CYP19A1 (0.39) CYP19A1CYP17A1CYP3A4KCNA5SMN1; SMN2
SCHEMBL2523944 0.89 SMN1; SMN2 (0.39) CYP19A1CYP3A4CYP3A5KCNA5SMN1; SMN2
SCHEMBL2522077 0.88 BCHE (0.35) CYP3A4CYP3A5KCNA5SMN1; SMN2BCHE
SCHEMBL2520620 0.88 KCNA5 (0.41) CYP19A1CYP3A4CYP3A5KCNA5SMN1; SMN2
SCHEMBL2523629 0.88 CYP19A1 (0.39) CYP19A1CYP17A1CYP3A4KCNA5SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 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 (2 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-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NOX5, CYP3A5, API5 CYP19A1 210/4885CYP17A1 293/4885CYP3A4 108/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B CYP19A1 1078/4885CYP17A1 991/4885CYP3A4 1510/4885

“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.