SCHEMBL8777316

SCHEMBL8777316

COc1cc(F)c(F)cc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAP4K1 Q92918 1/20 0.35
CYP1A2 P05177 3/20 0.34
TLR8 Q9NR97 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
TGFBR1 P36897 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8776454 0.88 MAOA (0.42) MBNL1MAOAMAOBL3MBTL1NPC1
SCHEMBL8776686 0.88 MAOA (0.40) MBNL1MAOAMAOBL3MBTL1NPC1
SCHEMBL8776676 0.87 MBNL1 (0.44) MBNL1MAOAMAOBNPC1ALDH1A1
SCHEMBL8776714 0.85 KMT2A (0.39) MAOAMAOBL3MBTL1NPC1RAB9A
SCHEMBL8776831 0.85 ALDH1A1 (0.49) MAOAMAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8776736 0.84 KDM4E (0.49) MAOAMAOBL3MBTL1NPC1RAB9A
SCHEMBL8776753 0.84 MAOA (0.43) MBNL1MAOAMAOBL3MBTL1ALDH1A1
SCHEMBL8776507 0.84 CRHR1 (0.43) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8776337 0.84 L3MBTL1 (0.41) MAOAMAOBL3MBTL1NPC1RAB9A
SCHEMBL8776768 0.83 NPC1 (0.46) MBNL1L3MBTL1NPC1RAB9AALDH1A1

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 MBNL1 4381/4885MAOA 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.