SCHEMBL8776882

SCHEMBL8776882

Cc1cc(C)c(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NQO2 P16083 1/20 0.38
MBNL1 Q9NR56 1/20 0.38
PDE10A Q9Y233 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8776451 0.88 CYP1A2 (0.40) CYP1A2NPC1ALDH1A1MAPTMEN1
SCHEMBL8776597 0.87 CYP1A2 (0.39) CYP1A2NPC1ALDH1A1MAPTMEN1
SCHEMBL8777346 0.87 CYP1A2 (0.45) CYP1A2NPC1ALDH1A1MAPTMEN1
SCHEMBL3789674 0.86 PDE10A (0.44) CYP1A2NPC1ALDH1A1MAPTMEN1
SCHEMBL8776610 0.86 MBNL1 (0.41) CYP1A2MBNL1PDE10AL3MBTL1AR
SCHEMBL8776925 0.86 CYP1A2 (0.38) CYP1A2NPC1ALDH1A1MAPTMBNL1
SCHEMBL8776700 0.85 CRHR1 (0.41) CYP1A2ALDH1A1MAPTMEN1ALOX12
SCHEMBL8776542 0.85 MBNL1 (0.40) CYP1A2NPC1ALDH1A1MAPTMEN1
SCHEMBL8776481 0.84 NPC1 (0.50) CYP1A2NPC1ALDH1A1MAPTMEN1
SCHEMBL8777141 0.84 CYP1A2 (0.47) CYP1A2NPC1ALDH1A1MAPTMEN1

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
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 346/4885ALDH1A1 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.