SCHEMBL8778053

SCHEMBL8778053

Fc1cc(F)c(F)c(Cc2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
FFAR1 O14842 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PTGER1 P34995 3/20 0.32
S1PR3 Q99500 1/20 0.32
NPC1 O15118 2/20 0.32
PDE10A Q9Y233 2/20 0.32
AR P10275 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8777776 0.84 NPC1 (0.40) CYP1A2L3MBTL1PTGER1S1PR3NPC1
SCHEMBL8778228 0.83 S1PR3 (0.35) CYP1A2FFAR1PTGER1S1PR3NPC1
SCHEMBL8778107 0.83 CYP1A2 (0.34) CYP1A2L3MBTL1PDE10A
SCHEMBL8778175 0.81 PTGER1 (0.41) CYP1A2L3MBTL1PTGER1S1PR3NPC1
SCHEMBL13063657 0.81 PTGER1 (0.35) CYP1A2PTGER1S1PR3NPC1
SCHEMBL8778027 0.80 CYP1A2 (0.38) CYP1A2L3MBTL1S1PR3NPC1PDE10A
SCHEMBL8778039 0.80 CYP1A2 (0.38) CYP1A2NPC1PDE10A
SCHEMBL8778052 0.80 S1PR3 (0.37) CYP1A2L3MBTL1PTGER1S1PR3NPC1
SCHEMBL3789630 0.80 CYP1A2 (0.36) CYP1A2L3MBTL1S1PR3PDE10AAR
SCHEMBL8777762 0.79 USP1 (0.39) CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
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 CYP1A2 18/4885FFAR1 2371/4885L3MBTL1 3069/4885

“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.