SCHEMBL8777522

SCHEMBL8777522

Cc1ccc(-c2ncc3ccccc3n2)nc1Oc1ccccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
LMNA P02545 2/20 0.31
NISCH Q9Y2I1 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
P2RY1 P47900 2/20 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
SCHEMBL8777598 0.84 ALDH1A1 (0.43) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777613 0.83 MAPK1 (0.43) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777719 0.83 LMNA (0.47) SLC6A2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL8777628 0.83 CYP1A2 (0.41) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777408 0.82 P2RX3 (0.42) P2RX3P2RX2SLC6A2SLC6A4SLC6A3
SCHEMBL3792084 0.81 L3MBTL1 (0.43) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777528 0.81 MAPT (0.41) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777524 0.80 L3MBTL1 (0.48) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777505 0.80 LMNA (0.46) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8777646 0.79 L3MBTL1 (0.48) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1

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 P2RX3 1349/4885P2RX2 1544/4885SLC6A2 490/4885

“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.