Sugi Predict

Sugi Predict / Compounds / SCHEMBL2522129

SCHEMBL2522129

SCHEMBL2522129

Cn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ KCNA5 P22460 5/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ CTSA P10619 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31

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
SCHEMBL2520348 0.93 CYP2A6 (0.39) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2519757 0.91 CYP2A6 (0.42) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2519719 0.90 CYP2A6 (0.40) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2518964 0.87 CYP2A6 (0.36) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2522855 0.86 CYP2A6 (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2521090 0.85 TSHR (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2516243 0.84 BCHE (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1KCNA5
SCHEMBL2518606 0.84 CYP2A6 (0.38) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2524567 0.84 CYP2A6 (0.36) CYP2A6SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL2520417 0.83 KCNA5 (0.38) SMN1; SMN2LMNAL3MBTL1KCNA5KCNH2

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 6 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
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.