SCHEMBL8776551

SCHEMBL8776551

CCCCOc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.43
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 1/20 0.39
PDE5A O76074 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.35
GCGR P47871 1/20 0.35

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
SCHEMBL8776710 0.90 KDM4E (0.41) TLR8CYP1A2KDM4ENPC1ALDH1A1
SCHEMBL8776831 0.85 ALDH1A1 (0.49) CYP1A2CYP2C19CYP19A1KDM4EALDH1A1
SCHEMBL8775810 0.84 TLR8 (0.46) TLR8CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL8777196 0.82 ELANE (0.40) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL3789674 0.81 PDE10A (0.44) CYP1A2CYP2C9CYP2C19NPC1ALDH1A1
SCHEMBL8776650 0.80 CYP1A2 (0.38) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8776552 0.79 KDM4E (0.41) TLR8CYP1A2KDM4ENPC1ALDH1A1
SCHEMBL8776642 0.79 TP53 (0.41) CYP1A2KDM4ENPC1ALDH1A1MAPT
SCHEMBL8776753 0.78 MAOA (0.43) CYP1A2CYP2C19KDM4EALDH1A1HPGD
SCHEMBL8776507 0.78 CRHR1 (0.43) CYP1A2CYP2C19KDM4ENPC1ALDH1A1

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 TLR8 1300/4885CYP1A2 18/4885CYP2C9 34/4885

“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.