SCHEMBL8776635

SCHEMBL8776635

Cc1cc(-c2nc(-c3ncc4ccccc4n3)ccc2C)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
NPC1 O15118 3/20 0.43
PDE10A Q9Y233 1/20 0.38
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
NPY5R Q15761 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LCK P06239 1/20 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
SCHEMBL8776606 0.93 CYP1A2 (0.45) CYP1A2NPC1PDE10AMAPTRAB9A
SCHEMBL8776564 0.91 CYP1A2 (0.46) CYP1A2NPC1PDE10AMAPTRAB9A
SCHEMBL8776481 0.90 NPC1 (0.50) CYP1A2NPC1PDE10AMAPTRAB9A
SCHEMBL8776995 0.87 CYP1A2 (0.42) CYP1A2NPC1PDE10AMAPTRAB9A
SCHEMBL8776930 0.86 CYP1A2 (0.48) CYP1A2NPC1PDE10AMAPTRAB9A
SCHEMBL8777080 0.86 CYP1A2 (0.48) CYP1A2NPC1PDE10ARAB9AMEN1
SCHEMBL8777123 0.85 PDE10A (0.44) CYP1A2PDE10A
SCHEMBL3785988 0.85 CYP1A2 (0.45) CYP1A2NPC1PDE10ARAB9AMEN1
SCHEMBL8777037 0.85 ADORA2A (0.43) CYP1A2NPC1MAPTRAB9AMEN1
SCHEMBL8776962 0.85 CYP1A2 (0.44) CYP1A2NPC1PDE10ARAB9AMEN1

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 18/4885NPC1 346/4885PDE10A 1335/4885

“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.