Sugi Predict

Sugi Predict / Compounds / SCHEMBL3729099

SCHEMBL3729099

SCHEMBL3729099

C#Cc1cnc2ccc(OC(SC)C(=O)NCCO)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ MET P08581 2/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ EP300 Q09472 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
SCHEMBL3739359 0.91 ALDH1A1 (0.36) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL3809078 0.90 HPGDS (0.36) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL13785400 0.89 ALDH1A1 (0.35) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL3726285 0.89 ALDH1A1 (0.35) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL3727023 0.86 ALDH1A1 (0.38) ALDH1A1HPGDF2GLASCN9A
SCHEMBL3730319 0.85 SCN9A (0.39) ALDH1A1HPGDF2GLASCN9A
SCHEMBL3735248 0.85 HPGDS (0.38) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL3730552 0.84 SCN9A (0.39) ALDH1A1HPGDF2GLASCN9A
SCHEMBL13785392 0.84 SCN9A (0.33) ALDH1A1HPGDF2GLASCN9A
SCHEMBL534549 0.84 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAEGLN1

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 3732/4885MAPT 3438/4885

“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.