SCHEMBL8775758

SCHEMBL8775758

Clc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
CYP1A2 P05177 5/20 0.42
IDO1 P14902 1/20 0.41
CNR2 P34972 3/20 0.40
AR P10275 1/20 0.38
PDE10A Q9Y233 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
PTPN11 Q06124 1/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NUDT1 P36639 1/20 0.35
PDE2A O00408 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
SCHEMBL8775144 0.91 CYP1A2 (0.44) GRM5CYP1A2IDO1ARPDE10A
SCHEMBL8776076 0.86 KMO (0.44) GRM5CYP1A2ARPDE10AKDM4E
SCHEMBL8776317 0.86 IDO1 (0.43) CYP1A2IDO1ARPDE10AKDM4E
SCHEMBL8776266 0.84 CYP1A2 (0.39) CYP1A2ARMEN1CYP2C19KMT2A
SCHEMBL8776339 0.84 CYP1A2 (0.39) GRM5CYP1A2ARMEN1CYP2C19
SCHEMBL8776067 0.82 CYP1A2 (0.44) CYP1A2IDO1PDE10AKDM4EALDH1A1
SCHEMBL8776621 0.82 CYP1A2 (0.37) GRM5CYP1A2CNR2ARPDE10A
SCHEMBL8775074 0.81 CYP1A2 (0.53) CYP1A2KDM4EALDH1A1MAPK3MAPK1
SCHEMBL8775342 0.81 GRM5 (0.43) GRM5CYP1A2CNR2ARKDM4E
SCHEMBL8775607 0.81 CYP1A2 (0.40) GRM5CYP1A2IDO1ARPDE10A

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 GRM5 2204/4885CYP1A2 18/4885IDO1 92/4885

“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.