SCHEMBL8776413

SCHEMBL8776413

COc1cc(C)c(-c2cccc(-c3ncc4ccccc4n3)n2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NQO2 P16083 5/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
TLR8 Q9NR97 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8776285 0.93 MEN1 (0.40) MEN1KMT2AL3MBTL1MAOAMAOB
SCHEMBL8775247 0.83 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1MAOAMAOB
SCHEMBL8775725 0.83 MAOA (0.41) MEN1KMT2AL3MBTL1MAOAMAOB
SCHEMBL8775655 0.83 NPC1 (0.50) MEN1KMT2AL3MBTL1NQO2MAPT
SCHEMBL8775971 0.83 NPC1 (0.41) MEN1KMT2AL3MBTL1NQO2MAPT
SCHEMBL8776382 0.82 CYP1A2 (0.39) MEN1KMT2AMAOAMAOBNQO2
SCHEMBL8775432 0.81 MEN1 (0.47) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL8776337 0.81 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1MAOAMAOB
SCHEMBL8775546 0.81 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1NQO2NPC1
SCHEMBL8775356 0.80 SMN1; SMN2 (0.47) MEN1KMT2AL3MBTL1MAOAMAOB

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 MEN1 571/4885KMT2A 2145/4885L3MBTL1 3069/4885

“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.