SCHEMBL8776012

SCHEMBL8776012

CCOc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
S1PR1 P21453 2/20 0.41
FAAH O00519 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CYP1A2 P05177 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 1/20 0.39
TP53 P04637 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.38
CREBBP Q92793 1/20 0.37

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
SCHEMBL8775257 0.91 PDE10A (0.46) PDE10ATLR8CYP1A2TRPV3RAB9A
SCHEMBL8775976 0.88 SMN1; SMN2 (0.49) MAPTCYP1A2RAB9AKDM4ENPC1
SCHEMBL8775925 0.86 S1PR1 (0.41) MAPTS1PR1FAAHTLR8CYP1A2
SCHEMBL8776630 0.85 PDE10A (0.46) PDE10AMAPTTHRBS1PR1FAAH
SCHEMBL8775991 0.83 CYP1A2 (0.43) MAPTCYP1A2RAB9AKDM4ENPC1
SCHEMBL8776033 0.82 NPC1 (0.45) MAPTCYP1A2RAB9AKDM4ENPC1
SCHEMBL8775301 0.81 TP53 (0.46) PDE10AMAPTS1PR1CYP1A2RAB9A
SCHEMBL8775983 0.80 NPC1 (0.45) MAPTS1PR1CYP1A2RAB9AKDM4E
SCHEMBL8775711 0.80 KDM4E (0.63) CYP1A2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL8775471 0.80 HSD17B14 (0.46) CYP1A2TRPV3RAB9ANPC1SMN1; 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 PDE10A 1335/4885MAPT 3067/4885THRB 4684/4885

“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.