SCHEMBL8779812

SCHEMBL8779812

COc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.44
WHR1 P49842 1/20 0.44
LMNA P02545 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
TDO2 P48775 2/20 0.41

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
SCHEMBL8779778 0.91 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3787309 0.91 ALDH1A1 (0.51) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8779846 0.90 ALDH1A1 (0.44) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8776938 0.82 PDE10A (0.51) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8779764 0.81 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8777021 0.80 NPC1 (0.45) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8776495 0.80 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8777140 0.80 CYP1A2 (0.50) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8779911 0.79 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8779883 0.78 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1

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 L3MBTL1 3069/4885ALDH1A1 1125/4885KDM4E 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.