SCHEMBL633389

SCHEMBL633389

CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 4/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 1/20 0.36
ALPL P05186 3/20 0.34
MALT1 Q9UDY8 1/20 0.34
MET P08581 2/20 0.33
CLK1 P49759 1/20 0.33
SLC2A1 P11166 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 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
SCHEMBL534860 0.89 SCN9A (0.37) HPGDSALDH1A1F2GLAHPGD
SCHEMBL534656 0.89 ALDH1A1 (0.35) HPGDSALDH1A1F2GLAHPGD
SCHEMBL2879160 0.89 HPGDS (0.32) HPGDSALDH1A1F2GLAHPGD
SCHEMBL29814974 0.89 ALDH1A1 (0.34) HPGDSALDH1A1F2GLAHPGD
SCHEMBL156805 0.89 ALDH1A1 (0.34) HPGDSALDH1A1F2GLAHPGD
SCHEMBL1927849 0.88 HPGDS (0.35) HPGDSALDH1A1F2GLAHPGD
SCHEMBL14763588 0.88 ALDH1A1 (0.49) HPGDSALDH1A1F2GLAHPGD
SCHEMBL13077864 0.88 HPGDS (0.39) HPGDSALDH1A1F2GLAHPGD
SCHEMBL535328 0.87 ALDH1A1 (0.33) HPGDSALDH1A1F2GLAHPGD
SCHEMBL535329 0.87 ALDH1A1 (0.33) HPGDSALDH1A1F2GLAHPGD

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-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
EP-2231614-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP 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 HPGDS 4861/4885ALDH1A1 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.