SCHEMBL3058649

SCHEMBL3058649

COC(=O)c1c(I)cc(C2OCCO2)c(C2OCCO2)c1N

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CFTR P13569 2/20 0.33
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3074035 0.85 CYP3A4 (0.38) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL3058533 0.84 KDM4E (0.39) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL3071700 0.75 KDM4E (0.37) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL3076346 0.75 KDM4E (0.43) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL3064685 0.74 KDM4E (0.39) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL3076329 0.71 ALDH1A1 (0.38) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL31056174 0.67 KDM4E (0.50) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL31562734 0.67 KDM4E (0.54) KDM4EALDH1A1CFTRHPGDSMN1; SMN2
SCHEMBL31523540 0.66 CA1 (0.40) KDM4EALDH1A1CFTRHPGDHSD17B10
SCHEMBL9387753 0.66 CFTR (0.41) KDM4EALDH1A1CFTRHPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
EP-2167484-B1 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2167484-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES Syngeta Participations AG (CH) 2010-03-31 EP disclosed
WO-2009010260-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-22 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 (1 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-20100273830-A1 NOVEL INSECTICIDES NR5A2, NR2C2, NOX5 KDM4E 2195/4885ALDH1A1 1573/4885CFTR 3176/4885

“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.