SCHEMBL2523944

SCHEMBL2523944

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)coc1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
BCHE P06276 1/20 0.36
CYP3A4 P08684 8/20 0.36
CYP3A5 P20815 7/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 3/20 0.35
CYP19A1 P11511 1/20 0.34
GAA P10253 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MME P08473 1/20 0.33
KCND3 Q9UK17 1/20 0.33
ACP1 P24666 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
SCHEMBL2520620 0.93 KCNA5 (0.41) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2525504 0.89 CYP19A1 (0.38) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2516898 0.89 CYP19A1 (0.38) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2516959 0.87 KCNA5 (0.44) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2518564 0.87 CYP17A1 (0.36) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2521557 0.85 KCNA5 (0.39) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2522100 0.85 CYP2A6 (0.38) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2519754 0.84 CYP2A6 (0.37) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2521511 0.84 TSHR (0.41) SMN1; SMN2BCHECYP3A4CYP3A5LMNA
SCHEMBL2522127 0.84 TSHR (0.41) SMN1; SMN2BCHECYP3A4CYP3A5LMNA

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 7 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
WO-2007075487-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-07-05 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 (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 SMN1; SMN2 3172/4885BCHE 1232/4885CYP3A4 108/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B SMN1; SMN2 4879/4885BCHE 4433/4885CYP3A4 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.