SCHEMBL8778809

SCHEMBL8778809

c1cc(-c2ncc3ccccc3n2)nc(C2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
CYP1A2 P05177 3/20 0.39
OPRK1 P41145 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 3/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
PDE5A O76074 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL8778766 0.93 CYP1A2 (0.42) CYP1A2TRPM8IDH1
SCHEMBL8778826 0.79 RAB9A (0.41) CYP1A2NPC1ALDH1A1RAB9AHCRTR1
SCHEMBL8778780 0.79 TDP1 (0.43) L3MBTL1TDP1CYP1A2OPRK1NPC1
SCHEMBL3784385 0.75 RAB9A (0.55) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL7574609 0.73 PDE5A (0.48) L3MBTL1TDP1NPC1RAB9ACNR2
SCHEMBL31326059 0.73 PDE5A (0.48) L3MBTL1TDP1NPC1RAB9ACNR2
SCHEMBL20615088 0.73 NPC1 (0.47) L3MBTL1TDP1HTR1ADRD2HTR2A
SCHEMBL20623032 0.73 NPC1 (0.47) L3MBTL1TDP1HTR1ADRD2HTR2A
SCHEMBL3524818 0.73 NPC1 (0.47) L3MBTL1TDP1HTR1ADRD2HTR2A
SCHEMBL8778674 0.72 CCR1 (0.50) CYP1A2

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 L3MBTL1 3069/4885TDP1 1445/4885HTR1A 2956/4885

“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.