Sugi Predict

Sugi Predict / Compounds / SCHEMBL3739359

SCHEMBL3739359

SCHEMBL3739359

C#CCNC(=O)C(Oc1ccc2ncc(C#C)cc2c1)SC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ MET P08581 5/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PDE2A O00408 2/20 0.32
▸ PDE3B Q13370 2/20 0.32
▸ PDE3A Q14432 2/20 0.32
▸ KDR P35968 3/20 0.32
▸ AURKA O14965 1/20 0.32
▸ ABL1 P00519 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
SCHEMBL3809078 0.93 HPGDS (0.36) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL13785400 0.92 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL3726285 0.92 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL3729099 0.91 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL3727023 0.89 ALDH1A1 (0.38) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL3735248 0.87 HPGDS (0.38) ALDH1A1HPGDF2GLAMET
SCHEMBL534549 0.87 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL632771 0.86 HPGDS (0.36) ALDH1A1HPGDF2GLAEGLN1
SCHEMBL3729083 0.86 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAEP300
SCHEMBL3730319 0.86 SCN9A (0.39) ALDH1A1HPGDF2GLAMET

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 7 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
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 — — WO 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 350/4885HPGD 3732/4885F2 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.