SCHEMBL3735248

SCHEMBL3735248

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
MET P08581 6/20 0.34
ACACB O00763 1/20 0.33
PARP1 P09874 1/20 0.33
ABL1 P00519 2/20 0.32
GRM5 P41594 2/20 0.32
CHRM2 P08172 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDR P35968 3/20 0.32
FGFR2 P21802 2/20 0.32
AURKA O14965 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
YES1 P07947 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
SCHEMBL3730319 0.90 SCN9A (0.39) ALDH1A1HPGDF2GLAMET
SCHEMBL3727023 0.89 ALDH1A1 (0.38) HPGDSALDH1A1HPGDF2GLA
SCHEMBL633068 0.87 SCN9A (0.35) HPGDSALDH1A1HPGDF2GLA
SCHEMBL3739359 0.87 ALDH1A1 (0.36) ALDH1A1HPGDF2GLAMET
SCHEMBL534549 0.87 ALDH1A1 (0.40) HPGDSALDH1A1HPGDF2GLA
SCHEMBL17164661 0.86 ALDH1A1 (0.35) HPGDSALDH1A1HPGDF2GLA
SCHEMBL3809078 0.86 HPGDS (0.36) HPGDSALDH1A1HPGDF2GLA
SCHEMBL632771 0.86 HPGDS (0.36) HPGDSALDH1A1HPGDF2GLA
SCHEMBL12817605 0.86 ALDH1A1 (0.41) HPGDSALDH1A1HPGDF2GLA
SCHEMBL2865535 0.85 ALDH1A1 (0.35) HPGDSALDH1A1HPGDF2GLA

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 HPGDS 4861/4885ALDH1A1 350/4885HPGD 3732/4885

“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.