SCHEMBL8779209

SCHEMBL8779209

COc1nc(-c2ccc(C)c(-c3ccccc3)n2)nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ABCG2 Q9UNQ0 6/20 0.39
NR1I3 Q14994 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
VDR P11473 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
AHR P35869 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 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
SCHEMBL9607686 0.92 POLB (0.43) POLBMEN1KMT2AABCG2NR1I3
SCHEMBL13063429 0.81 NR1I3 (0.40) POLBMEN1KMT2ANR1I3CYP1A2
SCHEMBL8779280 0.72 PDE10A (0.42) POLBMEN1KMT2ANR1I3MAPT
SCHEMBL26616705 0.71 PIN1 (0.47) POLBALDH1A1TDP1
SCHEMBL8779590 0.68 MAPT (0.51) POLBMEN1KMT2AABCG2NR1I3
SCHEMBL3787452 0.68 PDE10A (0.54) POLBMEN1KMT2AABCG2CYP1A2
SCHEMBL8777275 0.67 CYP1A2 (0.48) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL8778958 0.67 CYP1A2 (0.51) POLBMEN1KMT2AABCG2CYP1A2
SCHEMBL8777283 0.66 CYP1A2 (0.53) POLBMEN1KMT2AABCG2CYP1A2
SCHEMBL9607591 0.66 CYP1A2 (0.44) MEN1KMT2AABCG2CYP1A2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US 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 POLB 4191/4885MEN1 571/4885KMT2A 2145/4885

“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.