Sugi Predict

Sugi Predict / Compounds / SCHEMBL2520546

SCHEMBL2520546

SCHEMBL2520546

OC(c1cccnc1)c1c(-c2ccc(Cl)s2)coc1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.43
▸ KCNA5 P22460 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KCND3 Q9UK17 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ DAPK3 O43293 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 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
SCHEMBL2523941 0.90 CYP2A6 (0.42) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2518535 0.89 CYP2A6 (0.43) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2334999 0.86 TSHR (0.43) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2523734 0.86 CYP2A6 (0.38) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2518204 0.86 CYP2A6 (0.41) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2520591 0.85 CYP2A6 (0.41) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2519754 0.85 CYP2A6 (0.37) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2519101 0.84 CYP2A6 (0.44) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1
SCHEMBL2519033 0.83 KCNA5 (0.43) KCNA5SMN1; SMN2LMNAL3MBTL1TP53
SCHEMBL2522853 0.83 CYP2A6 (0.40) CYP2A6KCNA5SMN1; SMN2LMNAL3MBTL1

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 340/4885KCNA5 431/4885SMN1; SMN2 3172/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B CYP2A6 2016/4885KCNA5 3306/4885SMN1; 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.