SCHEMBL8775356

SCHEMBL8775356

COc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 5/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 5/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8775247 0.91 ALDH1A1 (0.46) SMN1; SMN2TP53MAPTALDH1A1NPC1
SCHEMBL8776077 0.86 MAOA (0.44) SMN1; SMN2TP53MAPTALDH1A1MAOA
SCHEMBL8776642 0.84 TP53 (0.41) SMN1; SMN2TP53MAPTALDH1A1NPC1
SCHEMBL8776232 0.84 HTR7 (0.45) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL8775539 0.81 L3MBTL1 (0.47) SMN1; SMN2TP53ALDH1A1NPC1RAB9A
SCHEMBL8776017 0.81 KCNH2 (0.45) SMN1; SMN2ALDH1A1MAOAMAOBL3MBTL1
SCHEMBL8775908 0.81 HPGD (0.44) SMN1; SMN2MAPTALDH1A1NPC1L3MBTL1
SCHEMBL8775432 0.80 MEN1 (0.47) SMN1; SMN2TP53MAPTALDH1A1NPC1
SCHEMBL8775546 0.80 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AADORA3
SCHEMBL8776413 0.80 MEN1 (0.40) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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 3 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
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 SMN1; SMN2 3646/4885TP53 2126/4885MAPT 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.