SCHEMBL2522136

SCHEMBL2522136

Cn1cc(-c2ccc(Cl)cc2F)c(C(O)c2cccnc2)c1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
CYP3A4 P08684 9/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A5 P20815 7/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.34
KCNA5 P22460 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 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
SCHEMBL2520924 0.92 CYP3A4 (0.37) CYP3A4CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL2517072 0.89 HSD11B1 (0.39) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL2515252 0.87 CYP3A4 (0.38) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL2518800 0.87 KCNA5 (0.44) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL2520417 0.85 KCNA5 (0.38) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL2522731 0.84 TSHR (0.41) BCHECYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2523694 0.84 HSD11B1 (0.38) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL2517077 0.84 CYP3A4 (0.38) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL2516807 0.83 KCNA5 (0.41) BCHECYP3A4CYP3A5LMNASMN1; SMN2
SCHEMBL12207242 0.83 HSD11B1 (0.39) BCHECYP3A4CYP3A5LMNASMN1; 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 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 BCHE 1232/4885CYP3A4 108/4885CYP2A6 340/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B BCHE 4433/4885CYP3A4 1510/4885CYP2A6 2016/4885

“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.