SCHEMBL3738591

SCHEMBL3738591

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SCN9A Q15858 2/20 0.31
KDR P35968 3/20 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
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
MST1R Q04912 1/20 0.31
PTK6 Q13882 1/20 0.31
HPGDS O60760 1/20 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
SCHEMBL3727686 0.91 RAB9A (0.35) METALDH1A1F2GLAHPGD
SCHEMBL3730552 0.91 SCN9A (0.39) METALDH1A1F2GLAHPGD
SCHEMBL13785404 0.91 PARP1 (0.34) METALDH1A1F2GLAHPGD
SCHEMBL3729083 0.91 ALDH1A1 (0.33) METALDH1A1F2GLAHPGD
SCHEMBL3735835 0.90 ALDH1A1 (0.34) METALDH1A1F2GLAHPGD
SCHEMBL632771 0.89 HPGDS (0.36) METALDH1A1F2GLAHPGD
SCHEMBL2865845 0.89 MET (0.31) METALDH1A1F2GLAHPGD
SCHEMBL3730533 0.89 SCN9A (0.34) METALDH1A1F2GLAHPGD
SCHEMBL2865535 0.88 ALDH1A1 (0.35) METALDH1A1F2GLAHPGD
SCHEMBL3728629 0.88 ALDH1A1 (0.33) METALDH1A1F2GLAHPGD

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 MET 4186/4885ALDH1A1 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.