SCHEMBL8775741

SCHEMBL8775741

Oc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
SMAD3 P84022 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP19A1 P11511 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 1/20 0.39
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE10A Q9Y233 1/20 0.36
F7 P08709 1/20 0.35
LMNA P02545 1/20 0.35
NTRK1 P04629 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
SCHEMBL8776032 0.85 CHEK2 (0.40) CYP1A2MEN1KMT2AMAPTL3MBTL1
SCHEMBL2360187 0.84 CYP1A2 (0.56) CYP1A2SMAD3MEN1KMT2AMAPT
SCHEMBL8776244 0.84 MEN1 (0.39) CYP1A2MEN1KMT2AMAPTHPGD
SCHEMBL8776103 0.84 NPC1 (0.40) CYP1A2MEN1KMT2AMAPTIDO1
SCHEMBL8775074 0.83 CYP1A2 (0.53) CYP1A2MEN1KMT2AMAPTTSHR
SCHEMBL8776344 0.82 CYP1A2 (0.44) CYP1A2MEN1KMT2AMAPTL3MBTL1
SCHEMBL8775521 0.82 CYP1A2 (0.44) CYP1A2KMT2AMAPTIDO1L3MBTL1
SCHEMBL8775659 0.82 NPC1 (0.52) CYP1A2MAPTPOLBIDO1L3MBTL1
SCHEMBL8775242 0.82 CYP1A2 (0.45) CYP1A2MEN1KMT2AMAPTL3MBTL1
SCHEMBL8775144 0.82 CYP1A2 (0.44) CYP1A2MEN1KMT2ACYP19A1MAPT

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 18/4885SMAD3 2815/4885MEN1 571/4885

“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.