SCHEMBL12181925

SCHEMBL12181925

C#CC(C)(COC)NC(=O)C(Oc1ccc2ncc(OC)cc2c1)SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGDS O60760 4/20 0.35
CLK1 P49759 1/20 0.34
ALPL P05186 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
ATM Q13315 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PPARG P37231 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL633380 0.91 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL14763154 0.91 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL12181920 0.88 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL14773116 0.88 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL14763588 0.84 ALDH1A1 (0.49) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL633021 0.84 ALDH1A1 (0.32) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL13077742 0.83 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL12181917 0.82 ALDH1A1 (0.42) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL12181895 0.82 ALDH1A1 (0.45) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL2872593 0.81 ALDH1A1 (0.30) ALDH1A1HPGDF2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
WO-2011144444-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-11-24 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-20130065922-A1 NOVEL AMIDES AS FUNGICIDES CYP51A1, DDT, CYP4X1 ALDH1A1 264/4885HPGD 4473/4885F2 4443/4885

“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.