SCHEMBL8776258

SCHEMBL8776258

OCc1cc(F)ccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
GRM5 P41594 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
S1PR1 P21453 1/20 0.34
PDE10A Q9Y233 3/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL8776032 0.85 CHEK2 (0.40) CYP1A2GRM5L3MBTL1CASP3SENP8
SCHEMBL8776256 0.85 CYP1A2 (0.43) CYP1A2NPC1
SCHEMBL8775990 0.85 CYP1A2 (0.44) CYP1A2
SCHEMBL8775365 0.84 L3MBTL1 (0.43) CYP1A2GRM5L3MBTL1CASP3SENP8
SCHEMBL3794048 0.81 AR (0.39) CYP1A2GRM5L3MBTL1CASP3SENP8
SCHEMBL8776103 0.81 NPC1 (0.40) CYP1A2L3MBTL1CASP3SENP8SENP7
SCHEMBL8776037 0.81 L3MBTL1 (0.43) CYP1A2GRM5L3MBTL1S1PR1CASP3
SCHEMBL8776017 0.81 KCNH2 (0.45) GRM5L3MBTL1CNR1
SCHEMBL8775608 0.79 ABL1 (0.40) CYP1A2PDE10A
SCHEMBL8775539 0.79 L3MBTL1 (0.47) CYP1A2L3MBTL1S1PR1NPC1

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 CYP1A2 18/4885GRM5 2204/4885L3MBTL1 3069/4885

“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.