SCHEMBL534713

SCHEMBL534713

C#Cc1cnc2c(C)cc(OC(SC)C(=O)O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
TDP1 Q9NUW8 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL30574369 0.91 PARP1 (0.41) PARP1
SCHEMBL28384483 0.86 PARP1 (0.35) PARP1
SCHEMBL633818 0.86 PARP1 (0.33) PARP1
SCHEMBL15605558 0.86 PARP1 (0.33) PARP1EGLN1
SCHEMBL3732925 0.85 PARP1 (0.32) PARP1
SCHEMBL15525181 0.85 PARP1 (0.32) PARP1EGLN1
SCHEMBL14869156 0.84 CCR1 (0.36) PARP1TDP1
SCHEMBL15647603 0.84 PARP1 (0.32) PARP1EGLN1
SCHEMBL15605553 0.83 PARP1 (0.31) PARP1EGLN1
SCHEMBL15605540 0.83 PARP1 (0.31) PARP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014060177-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-04-24 WO disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
EP-2691386-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngenta Participations AG (CH) 2014-02-05 EP disclosed
WO-2013156324-A1 USE OF COMPOUNDS FOR THE CONTROL OF CEREAL DISEASES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-24 WO disclosed
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
WO-2012130917-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-10-04 WO disclosed
WO-2012130917-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-10-04 WO disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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 (2 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 PARP1 4723/4885TDP1 3302/4885EGLN1 2253/4885
US-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 PARP1 4670/4885TDP1 1170/4885EGLN1 218/4885

“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.