SCHEMBL3738633

SCHEMBL3738633

CC#CC(C)(C)NC(=O)C(Oc1ccc2ncc(C#CCO)cc2c1)SC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
EGLN1 Q9GZT9 6/20 0.33
ACACB O00763 2/20 0.32
TNIK Q9UKE5 6/20 0.32
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
PDPK1 O15530 2/20 0.31
MET P08581 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL3737550 0.92 ALDH1A1 (0.39) ALDH1A1EGLN1ACACBTNIKF2
SCHEMBL3740811 0.92 ALDH1A1 (0.42) ALDH1A1EGLN1ACACBTNIKF2
SCHEMBL3739362 0.92 ALDH1A1 (0.34) ALDH1A1EGLN1ACACBTNIKF2
SCHEMBL3799210 0.91 EGLN1 (0.35) ALDH1A1EGLN1ACACBF2GLA
SCHEMBL13040721 0.91 ALDH1A1 (0.44) ALDH1A1EGLN1ACACBTNIKF2
SCHEMBL157007 0.89 ALDH1A1 (0.33) ALDH1A1ACACBF2GLAHPGD
SCHEMBL3739395 0.88 ALDH1A1 (0.32) ALDH1A1EGLN1ACACBTNIKF2
SCHEMBL3728642 0.88 EGLN1 (0.36) ALDH1A1EGLN1ACACBF2GLA
SCHEMBL3734199 0.86 MEN1 (0.34) ALDH1A1EGLN1ACACBTNIKF2
SCHEMBL13077951 0.85 ALDH1A1 (0.39) ALDH1A1EGLN1ACACBF2GLA

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 350/4885EGLN1 985/4885ACACB 3700/4885

“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.