SCHEMBL2335318

SCHEMBL2335318

Cn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
LIMK1 P53667 6/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP17A1 P05093 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
SCHEMBL2518606 0.90 CYP2A6 (0.38) KCNA5CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2518282 0.89 CYP2A6 (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2522855 0.86 CYP2A6 (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2336201 0.86 TSHR (0.44) KCNA5CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2516243 0.85 BCHE (0.37) KCNA5CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2519719 0.84 CYP2A6 (0.40) CYP2A6SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2518964 0.84 CYP2A6 (0.36) KCNA5CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2519757 0.83 CYP2A6 (0.42) KCNA5CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2520348 0.83 CYP2A6 (0.39) KCNA5CYP2A6SMN1; SMN2LMNAL3MBTL1
SCHEMBL2525456 0.82 CYP2A6 (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1GAA

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 9 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
EP-2358201-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 EP 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
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 KCNA5 431/4885CYP2A6 340/4885SMN1; SMN2 3172/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B KCNA5 3306/4885CYP2A6 2016/4885SMN1; SMN2 4879/4885

“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.