SCHEMBL8775607

SCHEMBL8775607

Clc1ccc(Cl)c(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
IDO1 P14902 1/20 0.39
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
ALPL P05186 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
AR P10275 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AGPAT2 O15120 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL8775342 0.89 GRM5 (0.43) CYP1A2GRM5KDM4EALDH1A1AR
SCHEMBL8775888 0.88 NPC1 (0.41) CYP1A2ALPLARNPC1
SCHEMBL8776019 0.87 IDO1 (0.42) CYP1A2IDO1KDM4EALDH1A1AR
SCHEMBL8775144 0.86 CYP1A2 (0.44) CYP1A2IDO1PDE10AGRM5KDM4E
SCHEMBL8775504 0.84 GRM2 (0.39) CYP1A2GRM5KDM4EALDH1A1AR
SCHEMBL8775805 0.84 ALDH1A1 (0.44) CYP1A2ALPLKDM4EALDH1A1NPC1
SCHEMBL8776737 0.81 PDE10A (0.37) CYP1A2IDO1HTR2BPDE4DALPL
SCHEMBL8775758 0.81 GRM5 (0.43) CYP1A2IDO1PDE2APDE10AGRM5
SCHEMBL8775312 0.80 RAB9A (0.51) CYP1A2PDE10AKDM4EALDH1A1AR
SCHEMBL8776327 0.80 CYP1A2 (0.40) CYP1A2ARNPC1RAB9ASMN1; SMN2

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 18/4885IDO1 92/4885HTR2B 3914/4885

“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.