SCHEMBL3728642

SCHEMBL3728642

COCC#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)C#CCOC)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 17/20 0.36
ALDH1A1 P00352 2/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
ACACB O00763 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
SCHEMBL3799210 0.96 EGLN1 (0.35) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL3737550 0.96 ALDH1A1 (0.39) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL3739395 0.95 ALDH1A1 (0.32) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL3799127 0.93 EGLN1 (0.35) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL3732358 0.93 ALDH1A1 (0.33) ALDH1A1F2GLAHPGD
SCHEMBL3730950 0.93 EGLN1 (0.41) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL12181917 0.90 ALDH1A1 (0.42) ALDH1A1F2GLAHPGD
SCHEMBL14859406 0.89 ALDH1A1 (0.34) ALDH1A1F2GLAHPGD
SCHEMBL13077947 0.89 EGLN1 (0.35) EGLN1ALDH1A1F2GLAHPGD
SCHEMBL12181855 0.88 ALDH1A1 (0.33) ALDH1A1F2GLAHPGD

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 6 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
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 EGLN1 985/4885ALDH1A1 350/4885F2 4237/4885

“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.