SCHEMBL8775804

SCHEMBL8775804

Fc1ccc(Br)cc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
CYP1A2 P05177 4/20 0.39
BIRC5 O15392 1/20 0.36
PTGES O14684 1/20 0.36
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MBNL1 Q9NR56 1/20 0.33
AR P10275 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
S1PR3 Q99500 1/20 0.32
PTGER1 P34995 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8776037 0.87 L3MBTL1 (0.43) NPC1CYP1A2HTTSMN1; SMN2MBNL1
SCHEMBL8775888 0.86 NPC1 (0.41) NPC1CYP1A2MAPTARS1PR3
SCHEMBL8776244 0.85 MEN1 (0.39) CYP1A2BIRC5PTGESHTTSMN1; SMN2
SCHEMBL8776101 0.85 NPC1 (0.40) NPC1CYP1A2MBNL1AR
SCHEMBL8775844 0.84 CYP1A2 (0.43) NPC1CYP1A2MAPTHPGDMBNL1
SCHEMBL8775659 0.84 NPC1 (0.52) NPC1CYP1A2MAPTMBNL1L3MBTL1
SCHEMBL8776622 0.82 MBNL1 (0.43) NPC1CYP1A2PTGESHTTMEN1
SCHEMBL8776097 0.81 NPC1 (0.49) NPC1CYP1A2SMN1; SMN2MEN1MAPT
SCHEMBL8775872 0.80 CYP1A2 (0.41) NPC1CYP1A2ARS1PR3
SCHEMBL8775996 0.80 PDE2A (0.40) NPC1CYP1A2SMN1; SMN2MAPT

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 NPC1 346/4885CYP1A2 18/4885BIRC5 3313/4885

“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.