SCHEMBL3736004

SCHEMBL3736004

CC#CC(C)(C)NC(=O)C(OC)Oc1ccc2ncc(C#C[Si](C)(C)C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HPGDS O60760 1/20 0.31
TNIK Q9UKE5 7/20 0.31
ACACB O00763 2/20 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
SCHEMBL3728694 0.91 HPGDS (0.38) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3730532 0.88 ALDH1A1 (0.36) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL535163 0.84 MET (0.33) ALDH1A1F2GLAHPGDTNIK
SCHEMBL535162 0.84 MET (0.33) ALDH1A1F2GLAHPGDTNIK
SCHEMBL2878821 0.83 ALDH1A1 (0.40) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL12182079 0.83 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3739279 0.80 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3735852 0.79 ALDH1A1 (0.34) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3739362 0.78 ALDH1A1 (0.34) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL13040773 0.78 TNIK (0.31) ALDH1A1F2GLAHPGDTNIK

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-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885F2 4237/4885GLA 1984/4885

“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.