SCHEMBL8776548

SCHEMBL8776548

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cccc(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
PDE10A Q9Y233 3/20 0.39
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
NPC1 O15118 1/20 0.33
PFKFB3 Q16875 2/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 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
SCHEMBL8776659 0.87 CYP1A2 (0.46) CYP1A2PDE10ALMNAHPGDSMN1; SMN2
SCHEMBL8776966 0.85 PDE10A (0.46) CYP1A2PDE10ASMN1; SMN2MEN1MAPT
SCHEMBL8777303 0.85 PDE10A (0.46) CYP1A2PDE10ALMNASMN1; SMN2MEN1
SCHEMBL8777080 0.84 CYP1A2 (0.48) CYP1A2PDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL8775690 0.84 CYP1A2 (0.43) CYP1A2RXRARXRBRXRGMEN1
SCHEMBL8776938 0.84 PDE10A (0.51) CYP1A2PDE10ALMNASMN1; SMN2MEN1
SCHEMBL8777323 0.83 NPC1 (0.46) CYP1A2PDE10ALMNAHPGDSMN1; SMN2
SCHEMBL8776852 0.83 CYP1A2 (0.42) CYP1A2PDE10ALMNAHPGDSMN1; SMN2
SCHEMBL8776955 0.83 CYP1A2 (0.42) CYP1A2PDE10A
SCHEMBL8777123 0.83 PDE10A (0.44) CYP1A2PDE10A

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 CYP1A2 18/4885PDE10A 1335/4885LMNA 3612/4885

“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.