SCHEMBL2517072

SCHEMBL2517072

Cn1cc(-c2ccc(Cl)cc2F)c(C(O)c2cccnc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
CYP3A4 P08684 9/20 0.39
CYP3A5 P20815 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP17A1 P05093 1/20 0.37
MME P08473 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KCNA5 P22460 2/20 0.36
PDE10A Q9Y233 1/20 0.36
KCND3 Q9UK17 1/20 0.35
GAA P10253 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
SCHEMBL2515252 0.96 CYP3A4 (0.38) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2523694 0.95 HSD11B1 (0.38) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2518800 0.92 KCNA5 (0.44) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL12207242 0.92 HSD11B1 (0.39) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2519019 0.91 SMN1; SMN2 (0.39) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2520417 0.90 KCNA5 (0.38) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2523585 0.89 CYP19A1 (0.38) CYP3A4CYP3A5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2517077 0.89 CYP3A4 (0.38) HSD11B1CYP3A4CYP3A5SMN1; SMN2LMNA
SCHEMBL2520466 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNAL3MBTL1CYP17A1AKR1C3
SCHEMBL2522136 0.89 BCHE (0.36) HSD11B1CYP3A4CYP3A5SMN1; 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 HSD11B1 1248/4885CYP3A4 108/4885CYP3A5 2/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B HSD11B1 1286/4885CYP3A4 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.