SCHEMBL8778911

SCHEMBL8778911

c1ccc(COc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 3/20 0.38
TGFBR1 P36897 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
DCPS Q96C86 1/20 0.37
ALKBH1 Q13686 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.36
ELANE P08246 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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 0.90 HTT (0.47) HTTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL8778904 0.87 KDM4E (0.48) DCPS
SCHEMBL8778885 0.87 MAPT (0.40) STAT3HTTSMN1; SMN2L3MBTL1CYSLTR2
SCHEMBL8778876 0.83 BTK (0.45) L3MBTL1CYP1A2TGFBR1
SCHEMBL8778908 0.82 HTR7 (0.40) L3MBTL1CYP1A2
SCHEMBL3786821 0.80 HTT (0.47) HTTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL8778873 0.80 CYP1A2 (0.44) HTTSMN1; SMN2L3MBTL1CYP1A2TGFBR1
SCHEMBL29368748 0.77 CYP1A2 (0.40) PDE5ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL3787262 0.77 CYP1A2 (0.40) PDE5ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL2524154 0.76 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1CYP1A2TRPV3ALOX5

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 PDE5A 297/4885STAT3 2950/4885HTT 2814/4885

“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.