SCHEMBL8778064

SCHEMBL8778064

N#Cc1ccc(Cc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.41
WDR48 Q8TAF3 2/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 3/20 0.35
SMO Q99835 1/20 0.34
FFAR1 O14842 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GBA1 P04062 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL29368748 0.86 CYP1A2 (0.40) USP1WDR48ALDH1A1CYP1A2
SCHEMBL3787262 0.86 CYP1A2 (0.40) USP1WDR48ALDH1A1CYP1A2
SCHEMBL8777888 0.84 SMN1; SMN2 (0.40) CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL8777762 0.84 USP1 (0.39) USP1WDR48CYP1A2
SCHEMBL8778144 0.84 USP1 (0.39) USP1WDR48CYP11B1CYP11B2CYP1A2
SCHEMBL9607508 0.84 L3MBTL1 (0.46) HRH3ALDH1A1KDM4ECYP1A2GBA1
SCHEMBL8776042 0.81 PARP1 (0.44) CYP1A2PARP1PARP2ABCG2
SCHEMBL8777975 0.81 TLR8 (0.36) ALDH1A1KDM4ECYP1A2TLR8TLR7
SCHEMBL8777811 0.81 USP1 (0.44) USP1WDR48CYP1A2
SCHEMBL8777791 0.81 SMN1; SMN2 (0.39) USP1WDR48KDM4ECYP1A2ABCG2

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 2 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

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 USP1 2963/4885WDR48 4477/4885CYP11B1 113/4885

“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.