SCHEMBL2519019

SCHEMBL2519019

Cn1cc(-c2ccc(Cl)cc2Cl)c(C(O)c2cccnc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MARS1 P56192 4/20 0.38
CYP19A1 P11511 1/20 0.38
CYP17A1 P05093 1/20 0.38
HSD11B1 P28845 3/20 0.37
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 2/20 0.37
PDE10A Q9Y233 1/20 0.37
CNR1 P21554 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GAA P10253 1/20 0.35
KCNA5 P22460 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL2523585 0.94 CYP19A1 (0.38) SMN1; SMN2LMNAL3MBTL1MARS1CYP19A1
SCHEMBL2518547 0.92 KCNA5 (0.42) SMN1; SMN2LMNAL3MBTL1MARS1HSD11B1
SCHEMBL2517072 0.91 HSD11B1 (0.39) SMN1; SMN2LMNAL3MBTL1CYP19A1CYP17A1
SCHEMBL2523806 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1CYP19A1CYP17A1
SCHEMBL2521100 0.89 KCNA5 (0.40) SMN1; SMN2LMNAL3MBTL1CYP19A1HSD11B1
SCHEMBL2520509 0.88 KCNA5 (0.38) SMN1; SMN2LMNAL3MBTL1MARS1CYP19A1
SCHEMBL2515252 0.87 CYP3A4 (0.38) SMN1; SMN2LMNAL3MBTL1CYP19A1CYP17A1
SCHEMBL2523694 0.86 HSD11B1 (0.38) SMN1; SMN2LMNAL3MBTL1CYP19A1CYP17A1
SCHEMBL12207242 0.84 HSD11B1 (0.39) SMN1; SMN2LMNAL3MBTL1CYP19A1CYP17A1
SCHEMBL2518800 0.83 KCNA5 (0.44) SMN1; SMN2LMNAL3MBTL1HSD11B1CYP3A4

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 SMN1; SMN2 3172/4885LMNA 4216/4885L3MBTL1 2867/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B SMN1; SMN2 4879/4885LMNA 4815/4885L3MBTL1 4252/4885

“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.