SCHEMBL8776327

SCHEMBL8776327

Fc1c(Cl)ccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
KMO O15229 1/20 0.35
AR P10275 4/20 0.33
NPC1 O15118 3/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
METAP1 P53582 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
S1PR3 Q99500 1/20 0.31
ABCB1 P08183 1/20 0.30
RAB9A P51151 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
SCHEMBL8776266 0.91 CYP1A2 (0.39) CYP1A2KMOARNPC1MEN1
SCHEMBL8776339 0.91 CYP1A2 (0.39) CYP1A2KMOARNPC1ALOX5AP
SCHEMBL8776076 0.91 KMO (0.44) CYP1A2KMOARNPC1MEN1
SCHEMBL8775872 0.86 CYP1A2 (0.41) CYP1A2ARNPC1ALOX5APFEN1
SCHEMBL8775515 0.82 NPC1 (0.43) CYP1A2ARNPC1RAB9A
SCHEMBL8776202 0.82 CYP1A2 (0.38) CYP1A2NPC1ALOX5APFEN1MEN1
SCHEMBL8775144 0.82 CYP1A2 (0.44) CYP1A2ARNPC1MEN1CYP2C9
SCHEMBL8775607 0.80 CYP1A2 (0.40) CYP1A2ARNPC1MEN1CYP2C19
SCHEMBL8775342 0.80 GRM5 (0.43) CYP1A2ARNPC1MEN1KMT2A
SCHEMBL8775758 0.80 GRM5 (0.43) CYP1A2ARNPC1MEN1CYP2C9

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 18/4885KMO 167/4885AR 3869/4885

“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.