SCHEMBL8778904

SCHEMBL8778904

Clc1cccc(COc2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
GRM5 P41594 6/20 0.44
HRH4 Q9H3N8 1/20 0.43
DHFR P00374 2/20 0.42
DCPS Q96C86 1/20 0.42
MAPT P10636 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SGMS2 Q8NHU3 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
FPR3 P25089 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL8778894 0.88 HTT (0.47) HPGDHRH4DHFRMAPTMAOB
SCHEMBL8778911 0.87 PDE5A (0.43) DCPS
SCHEMBL8778885 0.86 MAPT (0.40) KDM4EHPGDMAPTSGMS2MAOB
SCHEMBL8777914 0.81 KDM4E (0.39) KDM4EHPGDHRH4MAPTHTR2C
SCHEMBL8778876 0.77 BTK (0.45) KDM4EHPGDHRH4MAPTHTR7
SCHEMBL8778908 0.76 HTR7 (0.40) MAPTSGMS2HTR7MAOB
SCHEMBL8777351 0.75 HTT (0.52) KDM4EHPGDHRH4
SCHEMBL8778412 0.74 KDM4E (0.41) KDM4EHPGDHRH4MAPT
SCHEMBL8778873 0.74 CYP1A2 (0.44) KDM4EMAPT
SCHEMBL8777470 0.73 ALDH1A1 (0.52) KDM4EDCPSMAPT

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 3 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

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 KDM4E 1794/4885HPGD 1679/4885GRM5 2204/4885

“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.