SCHEMBL8779116

SCHEMBL8779116

Cc1ccc(-c2ncc3cc(C4CC4)ccc3n2)nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
PDE10A Q9Y233 1/20 0.38
PTGFR P43088 2/20 0.37
DGAT1 O75907 2/20 0.36
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ABL1 P00519 1/20 0.34
KDR P35968 2/20 0.34
NPC1 O15118 1/20 0.34
PDGFRB P09619 1/20 0.34

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 0.83 KDM4E (0.47) DHODHMAOAMAOBPDE10ARAB9A
SCHEMBL8779050 0.81 MAPT (0.41) MAOAMAOBPDE10APTGFRRAB9A
SCHEMBL8779053 0.81 PDE10A (0.41) DHODHMAOAMAOBPDE10ARAB9A
SCHEMBL8779034 0.81 KMT2A (0.44) MAOAMAOBPDE10ARAB9AKDM4E
SCHEMBL8779166 0.81 PDE10A (0.41) MAOAMAOBPDE10APTGFRRAB9A
SCHEMBL8776938 0.80 PDE10A (0.51) MAOAMAOBPDE10ARAB9AKDM4E
SCHEMBL8779400 0.79 NPC1 (0.50) MAOAMAOBRAB9AKDM4EMEN1
SCHEMBL8779177 0.78 MAOA (0.39) MAOAMAOBPDE10APTGFRRAB9A
SCHEMBL8777140 0.78 CYP1A2 (0.50) DHODHMAOAMAOBPDE10ARAB9A
SCHEMBL8778958 0.76 CYP1A2 (0.51) RAB9AMEN1ALDH1A1POLBMAPT

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 DHODH 322/4885MAOA 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.