SCHEMBL8776256

SCHEMBL8776256

OCc1cc2ccccc2cc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
GPBAR1 Q8TDU6 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
CBFB Q13951 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GPR3 P46089 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8775990 0.86 CYP1A2 (0.44) CYP1A2CBFBKDM4EGPR3KMT2A
SCHEMBL8776258 0.85 CYP1A2 (0.39) CYP1A2NPC1
SCHEMBL8776279 0.81 CYP1A2 (0.50) CYP1A2CYP11B1KDM4EGPR3KMT2A
SCHEMBL8776250 0.80 CYP1A2 (0.44) CYP1A2GPBAR1CYSLTR1KDM4EGPR3
SCHEMBL8775074 0.77 CYP1A2 (0.53) CYP1A2CYP11B1CYP11B2KDM4EGPR3
SCHEMBL8775836 0.76 FYN (0.43) CYP1A2GPBAR1CYSLTR1
SCHEMBL8775242 0.76 CYP1A2 (0.45) CYP1A2KDM4EKMT2AMEN1NPC1
SCHEMBL8775741 0.76 CYP1A2 (0.44) CYP1A2KMT2AMEN1ALDH1A1MAPT
SCHEMBL8775712 0.76 CYP1A2 (0.41) CYP1A2KMT2AMEN1NPC1RAB9A
SCHEMBL30423173 0.75 CYP1A2 (0.45) CYP1A2KDM4EGPR3KMT2AMEN1

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 CYP1A2 18/4885GPBAR1 2980/4885CYSLTR1 3060/4885

“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.