SCHEMBL2518535

SCHEMBL2518535

OC(c1cccnc1)c1c(-c2ccc(Cl)s2)coc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP19A1 P11511 1/20 0.38
CYP17A1 P05093 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
VDR P11473 1/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
KCNA5 P22460 1/20 0.32
KCND3 Q9UK17 1/20 0.32
SUCNR1 Q9BXA5 2/20 0.32
ADRB3 P13945 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
SCHEMBL2519101 0.93 CYP2A6 (0.44) CYP2A6CYP19A1CYP17A1SMN1; SMN2LMNA
SCHEMBL2520591 0.92 CYP2A6 (0.41) CYP2A6CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2520546 0.89 CYP2A6 (0.43) CYP2A6CYP19A1CYP17A1SMN1; SMN2LMNA
SCHEMBL2518204 0.87 CYP2A6 (0.41) CYP2A6CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2523734 0.87 CYP2A6 (0.38) CYP2A6CYP19A1CYP17A1SMN1; SMN2LMNA
SCHEMBL2525362 0.87 CYP19A1 (0.44) CYP19A1CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2522853 0.85 CYP2A6 (0.40) CYP2A6CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2331140 0.85 TSHR (0.45) CYP2A6CYP19A1CYP17A1SMN1; SMN2LMNA
SCHEMBL2523941 0.85 CYP2A6 (0.42) CYP2A6CYP17A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2519754 0.85 CYP2A6 (0.37) CYP2A6CYP19A1SMN1; 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 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 340/4885CYP19A1 210/4885CYP17A1 293/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B CYP2A6 2016/4885CYP19A1 1078/4885CYP17A1 991/4885

“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.