SCHEMBL8776067

SCHEMBL8776067

Nc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
NPC1 O15118 7/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PTBP1 P26599 1/20 0.39
RCE1 Q9Y256 1/20 0.39
IDO1 P14902 1/20 0.38
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL11032029 0.84 CYP1A2 (0.56) CYP1A2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8775074 0.83 CYP1A2 (0.53) CYP1A2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8775758 0.82 GRM5 (0.43) CYP1A2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8775144 0.82 CYP1A2 (0.44) CYP1A2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8776344 0.82 CYP1A2 (0.44) CYP1A2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8775528 0.82 CYP1A2 (0.44) CYP1A2NPC1ALDH1A1RAB9AGAA
SCHEMBL8775521 0.82 CYP1A2 (0.44) CYP1A2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8775659 0.82 NPC1 (0.52) CYP1A2NPC1ALDH1A1RAB9AMAPT
SCHEMBL8775741 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL8775242 0.82 CYP1A2 (0.45) CYP1A2NPC1ALDH1A1RAB9AKDM4E

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 18/4885NPC1 346/4885ALDH1A1 1125/4885

“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.