SCHEMBL8778780

SCHEMBL8778780

Cc1ccc(-c2ncc3ccccc3n2)nc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRK1 P41145 4/20 0.38
CYP1A2 P05177 2/20 0.38
LCK P06239 1/20 0.37
PDE10A Q9Y233 2/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NPY5R Q15761 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMO Q99835 2/20 0.34

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
SCHEMBL8778679 0.93 CYP1A2 (0.40) TDP1L3MBTL1CYP1A2LCKPDE10A
SCHEMBL8778865 0.79 CYP1A2 (0.39) OPRK1CYP1A2NPC1ALDH1A1RAB9A
SCHEMBL8778809 0.79 L3MBTL1 (0.40) TDP1L3MBTL1OPRK1CYP1A2NPC1
SCHEMBL8871869 0.77 PDE10A (0.42) L3MBTL1CYP1A2PDE10ANPC1ALDH1A1
SCHEMBL8778671 0.76 CYP1A2 (0.46) TDP1CYP1A2PDE10ANPC1ALDH1A1
SCHEMBL8515341 0.74 TDP1 (0.49) TDP1CYP1A2PDE10ANPC1
SCHEMBL3792267 0.72 CYP1A2 (0.36) CYP1A2PDE10A
SCHEMBL8776938 0.71 PDE10A (0.51) TDP1L3MBTL1CYP1A2PDE10ANPC1
SCHEMBL8870416 0.71 CYP1A2 (0.42) TDP1CYP1A2PDE10ANPC1RAB9A
SCHEMBL8778766 0.71 CYP1A2 (0.42) 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
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 TDP1 1445/4885L3MBTL1 3069/4885OPRK1 4416/4885

“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.