SCHEMBL8777077

SCHEMBL8777077

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDE4D Q08499 5/20 0.51
PDE4A P27815 4/20 0.51
PDE4C Q08493 3/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8777283 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8778958 0.86 CYP1A2 (0.51) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8777275 0.86 CYP1A2 (0.48) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8777303 0.83 PDE10A (0.46) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8776966 0.83 PDE10A (0.46) CYP1A2MAPTRAB9AABCG2BCHE
SCHEMBL8776938 0.81 PDE10A (0.51) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8777323 0.81 NPC1 (0.46) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8776852 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL8776955 0.81 CYP1A2 (0.42) CYP1A2ALDH1A1CYP3A4ABCG2BCHE
SCHEMBL9607579 0.81 CYP1A2 (0.45) CYP1A2ALDH1A1MAPTNPC1RAB9A

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 3 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
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 18/4885ALDH1A1 1125/4885MAPT 3067/4885

“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.