SCHEMBL8775329

SCHEMBL8775329

FC(F)(F)c1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP1 O94782 12/20 0.46
WDR48 Q8TAF3 12/20 0.46
KMO O15229 1/20 0.43
CYP1A2 P05177 5/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.42
RECQL P46063 1/20 0.42
ACP1 P24666 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8390254 0.85 USP1 (0.55) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL8775659 0.81 NPC1 (0.52) CYP1A2MAPK1HIF1A
SCHEMBL8776823 0.81 CYP1A2 (0.41) USP1WDR48CYP1A2CYP2D6CYP2C19
SCHEMBL8778880 0.80 IDH1 (0.47) CYP1A2
SCHEMBL8775074 0.80 CYP1A2 (0.53) CYP1A2TSHRLMNARECQLMAPK1
SCHEMBL8775515 0.79 NPC1 (0.43) CYP1A2LMNAHIF1ATDP1
SCHEMBL8776344 0.78 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19CYP3A4LMNA
SCHEMBL8775521 0.78 CYP1A2 (0.44) CYP1A2LMNAMAPK1HSD17B10
SCHEMBL8775741 0.78 CYP1A2 (0.44) CYP1A2TSHRLMNA
SCHEMBL8775144 0.78 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19CLK4CYP3A4

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 USP1 2963/4885WDR48 4477/4885KMO 167/4885

“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.