SCHEMBL8778000

SCHEMBL8778000

FC(F)(F)c1ccccc1Cc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP1 O94782 14/20 0.40
WDR48 Q8TAF3 14/20 0.40
SCN9A Q15858 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL8777776 0.84 NPC1 (0.40) SCN9ATLR8TLR7
SCHEMBL3787877 0.81 CYP1A2 (0.39) SCN9ATLR8TLR7LTA4H
SCHEMBL13063428 0.81 CYP1A2 (0.37) SCN9A
SCHEMBL3787471 0.81 CYP1A2 (0.37) TDP1
SCHEMBL8865272 0.81 USP1 (0.39) USP1WDR48
SCHEMBL13063655 0.81 CYP1A2 (0.35)
SCHEMBL8777811 0.81 USP1 (0.44) USP1WDR48LTA4H
SCHEMBL8865669 0.80 AR (0.36) USP1WDR48TDP1TLR8TLR7
SCHEMBL3789630 0.80 CYP1A2 (0.36) SCN9A
SCHEMBL8778052 0.80 S1PR3 (0.37) USP1WDR48SCN9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 USP1 2963/4885WDR48 4477/4885SCN9A 347/4885

“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.