SCHEMBL8775844

SCHEMBL8775844

Fc1cc(F)c(-c2cccc(-c3ncc4ccccc4n3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
NPC1 O15118 3/20 0.40
AR P10275 4/20 0.33
MBNL1 Q9NR56 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
TOP1 P11387 1/20 0.32
CBFB Q13951 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8776037 0.86 L3MBTL1 (0.43) CYP1A2NPC1ARMBNL1L3MBTL1
SCHEMBL8775365 0.86 L3MBTL1 (0.43) CYP1A2NPC1ARAKR1C3AKR1C2
SCHEMBL8775659 0.85 NPC1 (0.52) CYP1A2NPC1MBNL1L3MBTL1CASP3
SCHEMBL8775888 0.85 NPC1 (0.41) CYP1A2NPC1ARS1PR3MAPT
SCHEMBL8776337 0.84 L3MBTL1 (0.41) CYP1A2NPC1L3MBTL1ALDH1A1MAPT
SCHEMBL8775804 0.84 NPC1 (0.40) CYP1A2NPC1ARMBNL1L3MBTL1
SCHEMBL8776101 0.84 NPC1 (0.40) CYP1A2NPC1ARMBNL1
SCHEMBL8775515 0.83 NPC1 (0.43) CYP1A2NPC1ARMBNL1L3MBTL1
SCHEMBL8775832 0.82 CYP1A2 (0.40) CYP1A2NPC1ARL3MBTL1CASP3
SCHEMBL8775872 0.82 CYP1A2 (0.41) CYP1A2NPC1ARS1PR3

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 18/4885NPC1 346/4885AR 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.