SCHEMBL8776865

SCHEMBL8776865

CSc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
ATR Q13535 1/20 0.37
MBNL1 Q9NR56 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
IDO1 P14902 1/20 0.34
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL3789674 0.87 PDE10A (0.44) CYP1A2MBNL1PDE10ANPC1ADORA2A
SCHEMBL8776404 0.86 CYP1A2 (0.46) CYP1A2MBNL1PDE10ANPC1RAB9A
SCHEMBL8777141 0.84 CYP1A2 (0.47) CYP1A2MBNL1PDE10ANPC1ADORA2A
SCHEMBL8776607 0.83 CYP1A2 (0.40) CYP1A2MBNL1PDE10ANPC1RAB9A
SCHEMBL8776645 0.83 CYP1A2 (0.40) CYP1A2ATRMBNL1IDO1PDE10A
SCHEMBL8776603 0.83 CYP1A2 (0.40) CYP1A2MBNL1PDE10AALDH1A1MAPT
SCHEMBL8777068 0.83 CYP1A2 (0.40) CYP1A2ATRMBNL1PDE10ANPC1
SCHEMBL8776915 0.83 CYP1A2 (0.42) CYP1A2MBNL1PDE10ANPC1RAB9A
SCHEMBL8776992 0.83 MBNL1 (0.56) CYP1A2MBNL1PDE10ANPC1ADORA2A
SCHEMBL8776689 0.83 ALDH1A1 (0.43) CYP1A2MBNL1PDE10ANPC1RAB9A

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 18/4885ATR 1639/4885MBNL1 4381/4885

“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.