Sugi Predict

Sugi Predict / Compounds / SCHEMBL2521100

SCHEMBL2521100

SCHEMBL2521100

Cn1cc(-c2ccc(Cl)cc2Cl)c(C(O)c2cccnc2)c1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ DPP4 P27487 3/20 0.35
▸ DPP8 Q6V1X1 3/20 0.35
▸ DPP9 Q86TI2 3/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL2516807 0.92 KCNA5 (0.41) KCNA5SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2519019 0.89 SMN1; SMN2 (0.39) KCNA5SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2518547 0.87 KCNA5 (0.42) KCNA5SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2523585 0.85 CYP19A1 (0.38) KCNA5SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2517077 0.85 CYP3A4 (0.38) KCNA5SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2518282 0.84 CYP2A6 (0.37) SMN1; SMN2LMNAL3MBTL1GAACYP3A4
SCHEMBL2520569 0.84 TSHR (0.41) SMN1; SMN2LMNAL3MBTL1GAACYP3A4
SCHEMBL2520509 0.84 KCNA5 (0.38) KCNA5SMN1; SMN2LMNAL3MBTL1CYP3A4
SCHEMBL2336201 0.81 TSHR (0.44) KCNA5SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2335318 0.81 KCNA5 (0.39) KCNA5SMN1; 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 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 KCNA5 431/4885SMN1; SMN2 3172/4885LMNA 4216/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B KCNA5 3306/4885SMN1; 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.