SCHEMBL2518964

SCHEMBL2518964

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.32
CYP3A4 P08684 4/20 0.32
KCNA5 P22460 2/20 0.32
GRIN2B Q13224 2/20 0.32
PDE10A Q9Y233 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CYP3A5 P20815 3/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
BCHE P06276 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
KCNH2 Q12809 1/20 0.31
ACKR3 P25106 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2516243 0.94 BCHE (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2524567 0.93 CYP2A6 (0.36) CYP2A6SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL2518606 0.90 CYP2A6 (0.38) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2519719 0.88 CYP2A6 (0.40) CYP2A6SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL2522129 0.87 CYP2A6 (0.40) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2520348 0.87 CYP2A6 (0.39) CYP2A6SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL2522115 0.86 BCHE (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2523610 0.85 TSHR (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1POLB
SCHEMBL2518282 0.85 CYP2A6 (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2521088 0.84 HSD11B1 (0.38) SMN1; SMN2LMNAL3MBTL1CYP3A4KCNA5

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 8 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
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 CYP2A6 340/4885SMN1; SMN2 3172/4885LMNA 4216/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B CYP2A6 2016/4885SMN1; SMN2 4879/4885LMNA 4815/4885

“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.