SCHEMBL8776006

SCHEMBL8776006

CCOc1ccc(C)cc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
TLR8 Q9NR97 1/20 0.41
DHFR P00374 1/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
S1PR1 P21453 2/20 0.37
NPC1 O15118 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8775725 0.88 MAOA (0.41) KDM4ETLR8MAPTALDH1A1HPGD
SCHEMBL8775908 0.87 HPGD (0.44) KDM4ETLR8DHFRMAPTALDH1A1
SCHEMBL8776552 0.85 KDM4E (0.41) KDM4ETLR8DHFRMAPTALDH1A1
SCHEMBL3786375 0.83 CYP1A2 (0.40) KDM4EMAPTALDH1A1HSD17B10NPC1
SCHEMBL8776101 0.81 NPC1 (0.40) HSD17B10NPC1CYP1A2
SCHEMBL8776023 0.80 MAPT (0.41) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL8775925 0.78 S1PR1 (0.41) KDM4ETLR8MAPTALDH1A1HSD17B10
SCHEMBL8776012 0.78 PDE10A (0.44) KDM4ETLR8MAPTALDH1A1S1PR1
SCHEMBL8776285 0.76 MEN1 (0.40) KDM4ETLR8MAPTALDH1A1NPC1
SCHEMBL8775546 0.76 L3MBTL1 (0.47) KDM4EALDH1A1HPGDUSP2HSD17B10

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 KDM4E 1794/4885TLR8 1300/4885DHFR 914/4885

“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.