SCHEMBL8776337

SCHEMBL8776337

COc1cc(F)c(F)cc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 4/20 0.38
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 4/20 0.37
PPP1CA P62136 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 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
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 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
SCHEMBL8775539 0.87 L3MBTL1 (0.47) L3MBTL1MAOAMAOBCYP1A2KMT2A
SCHEMBL8776017 0.87 KCNH2 (0.45) L3MBTL1MAOAMAOBKMT2ASMN1; SMN2
SCHEMBL8776285 0.85 MEN1 (0.40) L3MBTL1MAOAMAOBCYP1A2KMT2A
SCHEMBL8775844 0.84 CYP1A2 (0.43) L3MBTL1CYP1A2ALDH1A1NPC1KDM4E
SCHEMBL8776077 0.84 MAOA (0.44) L3MBTL1MAOAMAOBCYP1A2KMT2A
SCHEMBL8777316 0.84 MBNL1 (0.40) L3MBTL1MAOAMAOBCYP1A2KMT2A
SCHEMBL8775247 0.83 ALDH1A1 (0.46) L3MBTL1MAOAMAOBCYP1A2KMT2A
SCHEMBL8775546 0.83 L3MBTL1 (0.47) L3MBTL1KMT2ASMN1; SMN2MEN1PPP1CA
SCHEMBL8775432 0.83 MEN1 (0.47) L3MBTL1CYP1A2KMT2ASMN1; SMN2MEN1
SCHEMBL8775725 0.83 MAOA (0.41) L3MBTL1MAOAMAOBCYP1A2KMT2A

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 L3MBTL1 3069/4885MAOA 737/4885MAOB 1067/4885

“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.