SCHEMBL8776076

SCHEMBL8776076

Fc1c(Cl)cccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
CYP1A2 P05177 5/20 0.40
AR P10275 2/20 0.36
NPC1 O15118 4/20 0.36
ELANE P08246 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL8776327 0.91 CYP1A2 (0.40) KMOCYP1A2ARNPC1MEN1
SCHEMBL8775144 0.89 CYP1A2 (0.44) CYP1A2ARNPC1ELANEPDE10A
SCHEMBL8776339 0.87 CYP1A2 (0.39) KMOCYP1A2ARNPC1MEN1
SCHEMBL8776266 0.87 CYP1A2 (0.39) KMOCYP1A2ARNPC1MEN1
SCHEMBL8775515 0.86 NPC1 (0.43) CYP1A2ARNPC1PDE10AKDM4E
SCHEMBL8775758 0.86 GRM5 (0.43) CYP1A2ARNPC1PDE10AKDM4E
SCHEMBL8776317 0.84 IDO1 (0.43) CYP1A2ARELANEPDE10AKDM4E
SCHEMBL8775659 0.83 NPC1 (0.52) CYP1A2NPC1ELANEPDE10AALDH1A1
SCHEMBL8776679 0.83 MBNL1 (0.39) KMOCYP1A2ARNPC1ELANE
SCHEMBL8775872 0.82 CYP1A2 (0.41) CYP1A2ARNPC1PDE10A

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 KMO 167/4885CYP1A2 18/4885AR 3869/4885

“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.