SCHEMBL2865535

SCHEMBL2865535

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HPGDS O60760 1/20 0.32
PARP1 P09874 1/20 0.32
MET P08581 2/20 0.31
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3732272 0.93 MEN1 (0.36) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL632771 0.93 HPGDS (0.36) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL155250 0.89 SCN9A (0.33) ALDH1A1F2GLAHPGDMET
SCHEMBL3730918 0.89 MAPT (0.35) ALDH1A1F2GLAHPGDMET
SCHEMBL533268 0.89 MET (0.33) ALDH1A1F2GLAHPGDMET
SCHEMBL157007 0.89 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3727686 0.89 RAB9A (0.35) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL632862 0.89 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3730552 0.89 SCN9A (0.39) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL13785392 0.89 SCN9A (0.33) ALDH1A1F2GLAHPGDHPGDS

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 9 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
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO 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 350/4885F2 4237/4885GLA 1984/4885

“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.