SCHEMBL633091

SCHEMBL633091

CCOC(=O)C(Oc1cc2cc(C#C[Si](C)(C)C)cnc2c(C)c1F)SC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL633373 0.82 HSD17B10 (0.32)
SCHEMBL13040597 0.81 PARP1 (0.30)
SCHEMBL3728895 0.79 EGLN1 (0.30)
SCHEMBL633090 0.77 GABRA1 (0.34) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL633377 0.77 PARP1 (0.36)
SCHEMBL3727976 0.74
SCHEMBL3727952 0.72 PARP1 (0.32)
SCHEMBL633624 0.72 PARP1 (0.32)
SCHEMBL3729096 0.71 PARP1 (0.31)
SCHEMBL3739368 0.69

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 5 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
EP-2231614-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP 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

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 GABRA1 593/4885GABRA5 937/4885GABRG2 516/4885

“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.