SCHEMBL2516807

SCHEMBL2516807

Cn1cc(-c2ccc(Cl)cc2F)c(C(O)c2cccnc2)c1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.41
CYP3A4 P08684 8/20 0.38
CYP3A5 P20815 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.35
HSD11B1 P28845 2/20 0.35
BCHE P06276 1/20 0.35
ATM Q13315 1/20 0.34
CYP19A1 P11511 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL2517077 0.93 CYP3A4 (0.38) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2521100 0.92 KCNA5 (0.40) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2517072 0.88 HSD11B1 (0.39) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2515252 0.86 CYP3A4 (0.38) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2518800 0.86 KCNA5 (0.44) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL12207242 0.86 HSD11B1 (0.39) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2520417 0.85 KCNA5 (0.38) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2522731 0.84 TSHR (0.41) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2522115 0.84 BCHE (0.37) KCNA5CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2523694 0.83 HSD11B1 (0.38) KCNA5CYP3A4CYP3A5SMN1; 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
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO 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 KCNA5 431/4885CYP3A4 108/4885CYP3A5 2/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B KCNA5 3306/4885CYP3A4 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.