SCHEMBL8779764

SCHEMBL8779764

COc1ccc(-c2ncc3ccccc3n2)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 3/20 0.41
NQO2 P16083 3/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 5/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
PPP1CA P62136 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8779911 0.81 L3MBTL1 (0.56) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8515341 0.81 TDP1 (0.49) KDM4ENPC1CYP1A2NQO2TDP1
SCHEMBL8779812 0.81 L3MBTL1 (0.46) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8777598 0.79 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8871869 0.79 PDE10A (0.42) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8779883 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8779778 0.78 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL3787309 0.78 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8776232 0.77 HTR7 (0.45) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL8779846 0.77 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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 3646/4885KDM4E 1794/4885ALDH1A1 1125/4885

“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.