SCHEMBL3728846

SCHEMBL3728846

CSC(Oc1ccc2ncc(C#CCCl)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.38
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGDS O60760 1/20 0.34
MET P08581 4/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ACACB O00763 1/20 0.32
TNIK Q9UKE5 2/20 0.31
CLK1 P49759 1/20 0.31
KDR P35968 2/20 0.31
AURKA O14965 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
YES1 P07947 1/20 0.31
FGFR2 P21802 1/20 0.31
EPHA2 P29317 1/20 0.31
LTK P29376 1/20 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
SCHEMBL13040721 0.91 ALDH1A1 (0.44) EGLN1SCN9AALDH1A1HPGDSMET
SCHEMBL3740799 0.91 EGLN1 (0.38) EGLN1SCN9AALDH1A1HPGDSMET
SCHEMBL3730950 0.90 EGLN1 (0.41) EGLN1SCN9AALDH1A1HPGDSF2
SCHEMBL3734746 0.88 HPGDS (0.36) EGLN1SCN9AALDH1A1HPGDSMET
SCHEMBL3729043 0.87 HPGDS (0.35) EGLN1SCN9AALDH1A1HPGDSMET
SCHEMBL3735241 0.87 EGLN1 (0.39) EGLN1SCN9AALDH1A1HPGDSF2
SCHEMBL633957 0.87 HPGDS (0.35) EGLN1SCN9AALDH1A1HPGDSMET
SCHEMBL3742636 0.87 TNIK (0.43) EGLN1SCN9AALDH1A1HPGDSF2
SCHEMBL632771 0.85 HPGDS (0.36) EGLN1SCN9AALDH1A1HPGDSMET
SCHEMBL2879160 0.84 HPGDS (0.32) EGLN1SCN9AALDH1A1HPGDSF2

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 EGLN1 985/4885SCN9A 1091/4885ALDH1A1 350/4885

“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.