SCHEMBL3726982

SCHEMBL3726982

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ACACB O00763 1/20 0.31
MTOR P42345 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
SCHEMBL633067 0.92 SCN9A (0.35) SCN9AALDH1A1F2GLAHPGD
SCHEMBL2865845 0.91 MET (0.31) SCN9AALDH1A1F2GLAHPGD
SCHEMBL633021 0.90 ALDH1A1 (0.32) SCN9AALDH1A1F2GLAHPGD
SCHEMBL3725950 0.89 ACACB (0.33) SCN9AACACB
SCHEMBL3730775 0.88 ALDH1A1 (0.33) SCN9AALDH1A1F2GLAHPGD
SCHEMBL3725939 0.87
SCHEMBL3730918 0.86 MAPT (0.35) SCN9AALDH1A1F2GLAHPGD
SCHEMBL155250 0.86 SCN9A (0.33) SCN9AALDH1A1F2GLAHPGD
SCHEMBL13040735 0.86 CNR2 (0.30)
SCHEMBL632771 0.86 HPGDS (0.36) SCN9AALDH1A1F2GLAHPGD

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 4 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

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 SCN9A 1091/4885ALDH1A1 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.