SCHEMBL8777975

SCHEMBL8777975

N#Cc1ccccc1Cc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HBB P68871 1/20 0.36
PLAU P00749 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP1A2 P05177 3/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.32
BRS3 P32247 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
SCHEMBL13063655 0.88 CYP1A2 (0.35) PDE10ACYP1A2
SCHEMBL8778131 0.84 TLR8 (0.33) TLR8HPGDSMN1; SMN2MAPTTSHR
SCHEMBL8777776 0.81 NPC1 (0.40) TLR8TLR7ALDH1A1PDE10ACYP1A2
SCHEMBL3787877 0.81 CYP1A2 (0.39) TLR8TLR7CYP1A2MEN1KMT2A
SCHEMBL13063428 0.81 CYP1A2 (0.37) HPGDALDH1A1KDM4EPDE10ACYP1A2
SCHEMBL3787471 0.81 CYP1A2 (0.37) SMN1; SMN2MAPTKDM4ECYP1A2MEN1
SCHEMBL8778064 0.81 USP1 (0.41) TLR8TLR7ALDH1A1KDM4ECYP1A2
SCHEMBL8778057 0.79 SCN9A (0.40) SMN1; SMN2MAPTCYP1A2
SCHEMBL8775667 0.78 GABRG2 (0.44) SMN1; SMN2ALDH1A1KDM4ECYP1A2GAA
SCHEMBL8778000 0.78 USP1 (0.40) TLR8TLR7

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 3 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

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 TLR8 1300/4885TLR7 905/4885HPGD 1679/4885

“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.