SCHEMBL8775262

SCHEMBL8775262

COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 6/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
CYP1A2 P05177 2/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
ACACA Q13085 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A1 P04798 1/20 0.44

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
SCHEMBL8775416 0.86 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16404354 0.85 CYP1A2 (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8775562 0.84 CYP1A2 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3784385 0.84 RAB9A (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8775681 0.83 ACP1 (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8775711 0.83 KDM4E (0.63) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3787309 0.82 ALDH1A1 (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8776948 0.82 NPC1 (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8775116 0.81 CYP1A2 (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8776094 0.81 CYP1A2 (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 NPC1 346/4885RAB9A 814/4885KDM4E 1794/4885

“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.