SCHEMBL2518698

SCHEMBL2518698

OC(c1cccnc1)c1c(-c2ccc(F)cc2F)coc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KCNA5 P22460 3/20 0.36
POLB P06746 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KCNH2 Q12809 2/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
GPR55 Q9Y2T6 3/20 0.33
TDO2 P48775 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
SCHEMBL2525502 0.94 CYP19A1 (0.36) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2518564 0.92 CYP17A1 (0.36) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2521560 0.88 KCNA5 (0.43) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2521103 0.88 SMN1; SMN2 (0.36) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2525504 0.87 CYP19A1 (0.38) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2523629 0.85 CYP19A1 (0.39) CYP17A1SMN1; SMN2LMNAL3MBTL1KCNA5
SCHEMBL2522166 0.85 CYP19A1 (0.36) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2520440 0.85 TSHR (0.43) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2525512 0.84 CYP2A6 (0.38) CYP17A1SMN1; SMN2LMNAL3MBTL1AKR1C3
SCHEMBL2521557 0.84 KCNA5 (0.39) SMN1; SMN2LMNAL3MBTL1AKR1C3AKR1C2

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 10 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
EP-2020851-A4 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LTD (GB) 2009-09-02 EP disclosed
EP-2020851-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES Syngenta Limited (GB) 2009-02-11 EP 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
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 CYP17A1 293/4885SMN1; SMN2 3172/4885LMNA 4216/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B CYP17A1 991/4885SMN1; 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.