SCHEMBL8777210

SCHEMBL8777210

CCc1cc(C)cc(CC)c1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
KDR P35968 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
AR P10275 1/20 0.32
NPC1 O15118 1/20 0.32
PDE10A Q9Y233 1/20 0.31
TP53 P04637 1/20 0.31
HSF1 Q00613 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR1 P34998 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8776441 0.86 CYP1A2 (0.40) CYP1A2KDRARNPC1PDE10A
SCHEMBL8776152 0.84 CYP1A2 (0.40) CYP1A2KDRTRPM8NPC1MEN1
SCHEMBL8776650 0.83 CYP1A2 (0.38) CYP1A2SMN1; SMN2TRPM8ARNPC1
SCHEMBL3788033 0.81 CYP1A2 (0.46) CYP1A2ARNPC1PDE10A
SCHEMBL8776452 0.81 CYP1A2 (0.41) CYP1A2KDRARNPC1PDE10A
SCHEMBL8777295 0.78 CYP1A2 (0.46) CYP1A2SMN1; SMN2ALDH1A1NPC1PDE10A
SCHEMBL8776451 0.78 CYP1A2 (0.40) CYP1A2SMN1; SMN2ALDH1A1KDRAR
SCHEMBL8777078 0.78 MBNL1 (0.40) CYP1A2ALDH1A1ARNPC1PDE10A
SCHEMBL8776881 0.77 CYP1A2 (0.50) CYP1A2SMN1; SMN2ALDH1A1NPC1PDE10A
SCHEMBL8776938 0.77 PDE10A (0.51) CYP1A2SMN1; SMN2ALDH1A1KDRNPC1

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 18/4885SMN1; SMN2 3646/4885ALDH1A1 1125/4885

“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.