SCHEMBL8776232

SCHEMBL8776232

COc1cccc(OC)c1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
SMN1; SMN2 Q16637 8/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 3/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NQO2 P16083 2/20 0.41
LMNA P02545 5/20 0.40
PPP1CA P62136 2/20 0.40
TRPM8 Q7Z2W7 4/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL8775767 0.91 MAP4K1 (0.47) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL8775692 0.91 SMN1; SMN2 (0.47) HTR7SMN1; SMN2MAPTNPC1PKM
SCHEMBL8775247 0.87 ALDH1A1 (0.46) SMN1; SMN2MAPTNPC1PKMRAB9A
SCHEMBL8775356 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPC1RAB9ACYP1A2
SCHEMBL8776077 0.83 MAOA (0.44) SMN1; SMN2MAPTCYP1A2L3MBTL1KDM4E
SCHEMBL8777306 0.83 MEN1 (0.39) HTR7SMN1; SMN2MAPTNPC1PKM
SCHEMBL8777447 0.82 LMNA (0.41) SMN1; SMN2MAPTNPC1PKMRAB9A
SCHEMBL8775711 0.81 KDM4E (0.63) SMN1; SMN2NPC1RAB9ACYP1A2L3MBTL1
SCHEMBL8776017 0.81 KCNH2 (0.45) SMN1; SMN2PKML3MBTL1HTTMEN1
SCHEMBL8775539 0.81 L3MBTL1 (0.47) SMN1; SMN2NPC1PKMRAB9ACYP1A2

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 HTR7 3853/4885SMN1; SMN2 3646/4885MAPT 3067/4885

“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.