SCHEMBL926113

SCHEMBL926113

C[Si](C)(C)CNC(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
S1PR3 Q99500 8/20 0.43
S1PR1 P21453 2/20 0.43
S1PR4 O95977 1/20 0.43
GRM4 Q14833 1/20 0.42
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
NAMPT P43490 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
IDO1 P14902 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13702420 0.84 VNN1 (0.44) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL15515939 0.83 VNN1 (0.40) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL921426 0.82 CA12 (0.48) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL1807538 0.82 S1PR3 (0.51) S1PR3S1PR1S1PR4
SCHEMBL1807398 0.81 AR (0.50)
SCHEMBL19771775 0.81 VNN1 (0.42) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL3612508 0.79 VNN1 (0.47) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL3821201 0.79 S1PR3 (0.47) VNN1S1PR3S1PR1S1PR4GRM4
SCHEMBL926068 0.78 HPGD (0.47) HDAC1HDAC6
SCHEMBL13859182 0.78 SMN1; SMN2 (0.53) KCNQ3KCNQ2KCNE1KCNQ1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2015-08-27 US disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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 (4 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-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN BTF3, BRS3, CCNB3 VNN1 3124/4885S1PR3 538/4885S1PR1 1130/4885
US-20150208658-A1 METHODS OF SOIL PEST CONTROL C1S, CBR3, CNPY3 VNN1 1749/4885S1PR3 436/4885S1PR1 1054/4885
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 VNN1 1140/4885S1PR3 3392/4885S1PR1 3627/4885
US-20150237862-A1 METHODS OF PEST CONTROL IN SOYBEAN HRH4, HRH3, H1-3 VNN1 2931/4885S1PR3 393/4885S1PR1 956/4885

“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.