SCHEMBL2269439

SCHEMBL2269439

C#CC(C)(C)NC(=O)C(OC)Oc1cnc2ccc(I)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGDS O60760 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
SCHEMBL12181924 0.89 ALDH1A1 (0.46) ALDH1A1F2GLAHPGDMEN1
SCHEMBL3739279 0.85 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDMEN1
SCHEMBL12182074 0.84 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDMEN1
SCHEMBL2220295 0.81 ALDH1A1 (0.44) ALDH1A1F2GLAHPGDKMT2A
SCHEMBL2221877 0.79 ALDH1A1 (0.45) ALDH1A1F2GLAHPGDKMT2A
SCHEMBL3730532 0.77 ALDH1A1 (0.36) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL12181918 0.77 ALDH1A1 (0.45) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3732277 0.76 HPGDS (0.39) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL2222087 0.76 ALDH1A1 (0.40) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL12181920 0.75 ALDH1A1 (0.45) ALDH1A1F2GLAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 ALDH1A1 1771/4885F2 2650/4885GLA 2737/4885

“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.