SCHEMBL8779166

SCHEMBL8779166

Cc1ccc(-c2ncc3cc(I)ccc3n2)nc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 2/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDGFRB P09619 1/20 0.37
FLT3 P36888 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
LCK P06239 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL3789195 0.87 KDM4E (0.47) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8779050 0.85 MAPT (0.41) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8779034 0.85 KMT2A (0.44) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8779053 0.85 PDE10A (0.41) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8776938 0.84 PDE10A (0.51) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8779400 0.83 NPC1 (0.50) MAOAMAOBRAB9AKDM4EALDH1A1
SCHEMBL8779177 0.82 MAOA (0.39) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8777140 0.82 CYP1A2 (0.50) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8779116 0.81 DHODH (0.40) PDE10AMAOAMAOBRAB9AKDM4E
SCHEMBL8778958 0.80 CYP1A2 (0.51) RAB9AALDH1A1MAPTMEN1POLB

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 PDE10A 1335/4885MAOA 737/4885MAOB 1067/4885

“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.