SCHEMBL8776867

SCHEMBL8776867

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(Cl)cc(C)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.38
AR P10275 6/20 0.36
CYP1A2 P05177 3/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 4/20 0.32
S1PR3 Q99500 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDR P35968 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
FGFR4 P22455 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
SCHEMBL8776807 0.87 MBNL1 (0.44) MBNL1ARCYP1A2NPC1S1PR3
SCHEMBL8776132 0.86 CYP1A2 (0.36) MBNL1ARCYP1A2ADORA3ADORA1
SCHEMBL8776925 0.86 CYP1A2 (0.38) MBNL1ARCYP1A2NPC1HTT
SCHEMBL8776700 0.85 CRHR1 (0.41) MBNL1CYP1A2ADORA3ADORA1HTT
SCHEMBL8776737 0.84 PDE10A (0.37) MBNL1ARCYP1A2HTTMAPT
SCHEMBL8776679 0.83 MBNL1 (0.39) MBNL1ARCYP1A2NPC1NPSR1
SCHEMBL8776777 0.83 MBNL1 (0.41) MBNL1ARCYP1A2NPC1
SCHEMBL8776665 0.82 MBNL1 (0.40) MBNL1ARCYP1A2NPC1MAPT
SCHEMBL8776962 0.82 CYP1A2 (0.44) CYP1A2ADORA3ADORA1NPC1HTT
SCHEMBL8777333 0.82 AR (0.36) MBNL1ARCYP1A2

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 MBNL1 4381/4885AR 3869/4885CYP1A2 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.