SCHEMBL8778027

SCHEMBL8778027

Fc1cccc(F)c1Cc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
NPC1 O15118 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPP1CA P62136 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 4/20 0.33
PDE10A Q9Y233 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
PCSK9 Q8NBP7 1/20 0.32
S1PR3 Q99500 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
SCHEMBL8778039 0.89 CYP1A2 (0.38) CYP1A2NPC1PDE10APCSK9KCNA5
SCHEMBL8777776 0.88 NPC1 (0.40) CYP1A2NPC1HTTL3MBTL1MEN1
SCHEMBL8777743 0.84 CYP1A2 (0.38) CYP1A2NPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL8777762 0.83 USP1 (0.39) CYP1A2NPC1SMN1; SMN2HTTMEN1
SCHEMBL8778211 0.82 CYP1A2 (0.38) CYP1A2NPC1SMN1; SMN2HTTLMNA
SCHEMBL8778228 0.82 S1PR3 (0.35) CYP1A2NPC1PDE10AS1PR3
SCHEMBL29368748 0.82 CYP1A2 (0.40) CYP1A2NPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL3787262 0.82 CYP1A2 (0.40) CYP1A2NPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL8778305 0.81 CYP1A2 (0.37) CYP1A2L3MBTL1MEN1KMT2APDE10A
SCHEMBL8778053 0.80 CYP1A2 (0.34) CYP1A2NPC1L3MBTL1PDE10AS1PR3

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 346/4885SMN1; SMN2 3646/4885

“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.