SCHEMBL2522855

SCHEMBL2522855

Cn1cc(-c2ccc(Cl)s2)c(C(O)c2cccnc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP17A1 P05093 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP3A5 P20815 2/20 0.34
PDE10A Q9Y233 1/20 0.34
VDR P11473 1/20 0.32
CNR1 P21554 1/20 0.32
CREBBP Q92793 1/20 0.32
TP53 P04637 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
P4HTM Q9NXG6 1/20 0.32

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
SCHEMBL2519719 0.92 CYP2A6 (0.40) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP17A1
SCHEMBL2525456 0.92 CYP2A6 (0.41) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP19A1
SCHEMBL2519757 0.89 CYP2A6 (0.42) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP17A1
SCHEMBL2520348 0.87 CYP2A6 (0.39) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP17A1
SCHEMBL2518282 0.87 CYP2A6 (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP19A1
SCHEMBL2523806 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1CYP19A1CYP17A1
SCHEMBL2516243 0.87 BCHE (0.37) CYP2A6SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL2519031 0.86 TSHR (0.44) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP19A1
SCHEMBL2335318 0.86 KCNA5 (0.39) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP17A1
SCHEMBL2522129 0.86 CYP2A6 (0.40) CYP2A6SMN1; SMN2LMNAL3MBTL1CYP17A1

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 7 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
WO-2007075487-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-07-05 WO 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.