SCHEMBL2516243

SCHEMBL2516243

Cn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1ccc(Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
CYP3A4 P08684 10/20 0.37
CYP3A5 P20815 9/20 0.37
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.34
KCNA5 P22460 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP11B2 P19099 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 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
SCHEMBL2518964 0.94 CYP2A6 (0.36) BCHECYP3A4CYP3A5CYP2A6SMN1; SMN2
SCHEMBL2522115 0.93 BCHE (0.37) BCHECYP3A4CYP3A5CYP2A6SMN1; SMN2
SCHEMBL2518282 0.92 CYP2A6 (0.37) CYP3A4CYP3A5CYP2A6SMN1; SMN2LMNA
SCHEMBL2518606 0.91 CYP2A6 (0.38) CYP3A4CYP3A5CYP2A6SMN1; SMN2LMNA
SCHEMBL2521086 0.87 TSHR (0.41) BCHECYP3A4CYP3A5CYP2A6SMN1; SMN2
SCHEMBL2522855 0.87 CYP2A6 (0.41) CYP3A4CYP3A5CYP2A6SMN1; SMN2LMNA
SCHEMBL2524567 0.86 CYP2A6 (0.36) BCHECYP3A4CYP3A5CYP2A6SMN1; SMN2
SCHEMBL2519757 0.86 CYP2A6 (0.42) CYP3A4CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2520348 0.86 CYP2A6 (0.39) CYP3A4CYP3A5CYP2A6SMN1; SMN2LMNA
SCHEMBL12207242 0.85 HSD11B1 (0.39) BCHECYP3A4CYP3A5SMN1; SMN2LMNA

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 BCHE 1232/4885CYP3A4 108/4885CYP3A5 2/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B BCHE 4433/4885CYP3A4 1510/4885CYP3A5 687/4885

“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.