SCHEMBL8778052

SCHEMBL8778052

Fc1c(Cl)cccc1Cc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.37
MPO P05164 1/20 0.34
CYP1A2 P05177 4/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
PPP1CA P62136 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER1 P34995 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SCN9A Q15858 3/20 0.31
RAB9A P51151 2/20 0.30
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 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
SCHEMBL3787471 0.90 CYP1A2 (0.37) S1PR3CYP1A2NPC1SMN1; SMN2HTT
SCHEMBL3789630 0.86 CYP1A2 (0.36) S1PR3MPOCYP1A2L3MBTL1MEN1
SCHEMBL8777776 0.85 NPC1 (0.40) S1PR3CYP1A2NPC1HTTL3MBTL1
SCHEMBL8778228 0.84 S1PR3 (0.35) S1PR3CYP1A2NPC1PTGER1CYP2C9
SCHEMBL13063656 0.84 CYP1A2 (0.34) S1PR3CYP1A2SMN1; SMN2PTGER1MEN1
SCHEMBL8778175 0.84 PTGER1 (0.41) S1PR3CYP1A2NPC1SMN1; SMN2HTT
SCHEMBL8777743 0.84 CYP1A2 (0.38) CYP1A2NPC1SMN1; SMN2HTTPPP1CA
SCHEMBL8778131 0.83 TLR8 (0.33) MPOCYP1A2SMN1; SMN2L3MBTL1PTGER1
SCHEMBL8777799 0.82 PTGER1 (0.39) CYP1A2NPC1SMN1; SMN2HTTPPP1CA
SCHEMBL8778306 0.82 SMN1; SMN2 (0.46) CYP1A2NPC1SMN1; SMN2HTTPPP1CA

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 S1PR3 3086/4885MPO 221/4885CYP1A2 18/4885

“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.