SCHEMBL8776495

SCHEMBL8776495

COc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
ABCG2 Q9UNQ0 6/20 0.45
ABCB1 P08183 2/20 0.44
ABCC1 P33527 1/20 0.44
CYP1A2 P05177 1/20 0.43
ACACA Q13085 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8777021 0.93 NPC1 (0.45) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL8777358 0.90 POLB (0.55) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL3785974 0.90 ALDH1A1 (0.46) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL8777037 0.90 ADORA2A (0.43) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL29360950 0.90 ALDH1A1 (0.46) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL8777207 0.88 PDGFRB (0.48) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL18714013 0.87 ALDH1A1 (0.40) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL8776481 0.85 NPC1 (0.50) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL8777221 0.85 NPC1 (0.47) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A
SCHEMBL8776948 0.84 NPC1 (0.51) SMN1; SMN2NPC1KDM4EALDH1A1RAB9A

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 SMN1; SMN2 3646/4885NPC1 346/4885KDM4E 1794/4885

“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.