SCHEMBL8778908

SCHEMBL8778908

Cc1ccccc1COc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
SGMS2 Q8NHU3 1/20 0.38
CYP1A2 P05177 3/20 0.37
GLP1R P43220 1/20 0.37
MAOB P27338 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MPO P05164 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIT P10721 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL8778911 0.82 PDE5A (0.43) CYP1A2L3MBTL1
SCHEMBL8778876 0.81 BTK (0.45) HTR7CYP1A2KMT2AMAPTMEN1
SCHEMBL8777412 0.81 L3MBTL1 (0.46) HTR7CYP1A2KMT2ALMNAMAPT
SCHEMBL8778885 0.81 MAPT (0.40) SGMS2MAOBLMNAMAPTTDP1
SCHEMBL3787877 0.80 CYP1A2 (0.39) CYP1A2KMT2ALMNAMEN1L3MBTL1
SCHEMBL3787255 0.80 MAP4K4 (0.45) HTR7CYP1A2KMT2AMAPTMEN1
SCHEMBL8778873 0.78 CYP1A2 (0.44) CYP1A2KMT2AMAPTMEN1L3MBTL1
SCHEMBL8778894 0.78 HTT (0.47) CYP1A2GLP1RMAOBKMT2ALMNA
SCHEMBL8778904 0.76 KDM4E (0.48) HTR7SGMS2MAOBMAPT
SCHEMBL8775946 0.76 CYP1A2 (0.44) HTR7CYP1A2KMT2ATDP1MEN1

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 HTR7 3853/4885SGMS2 3714/4885CYP1A2 18/4885

“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.