SCHEMBL3735835

SCHEMBL3735835

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)COC)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGDS O60760 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MET P08581 1/20 0.31
SCN9A Q15858 2/20 0.31
EGLN1 Q9GZT9 2/20 0.31
EGFR P00533 2/20 0.30
PTGS2 P35354 1/20 0.30
ABL1 P00519 2/20 0.30

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
SCHEMBL3732164 0.93 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL633380 0.91 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL3728629 0.91 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL3727686 0.91 RAB9A (0.35) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL3730552 0.91 SCN9A (0.39) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL3735071 0.90 ALDH1A1 (0.31) ALDH1A1HPGDF2GLA
SCHEMBL2879642 0.90 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL13785404 0.90 PARP1 (0.34) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL3738591 0.90 MET (0.33) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL3729083 0.90 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAHPGDS

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 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.