SCHEMBL8777542

SCHEMBL8777542

Cc1ccc(-c2ncc3ccccc3n2)nc1Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCG2 Q9UNQ0 4/20 0.40
CYP3A4 P08684 1/20 0.39
VDR P11473 1/20 0.39
CYP2B6 P20813 1/20 0.39
AHR P35869 1/20 0.39
NR1I3 Q14994 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
DHODH Q02127 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.36
ATM Q13315 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
SCHEMBL3792084 0.89 L3MBTL1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777506 0.88 MAPT (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777669 0.87 MAPT (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777685 0.86 MAPT (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777528 0.86 MAPT (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777646 0.82 L3MBTL1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777721 0.81 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777437 0.81 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8777524 0.81 L3MBTL1 (0.48) CYP1A2ALDH1A1MAPTLMNANPSR1
SCHEMBL8777491 0.80 L3MBTL1 (0.47) CYP1A2CYP2C19ALDH1A1MAPTLMNA

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 18/4885CYP2C9 34/4885CYP2C19 38/4885

“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.