SCHEMBL8777791

SCHEMBL8777791

CC(C)(C)c1ccc(Cc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 3/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 2/20 0.34
NR1I2 O75469 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL8777811 0.88 USP1 (0.44) CYP1A2USP1WDR48
SCHEMBL8777888 0.86 SMN1; SMN2 (0.40) SMN1; SMN2TP53MEN1KMT2ACYP1A2
SCHEMBL29368748 0.86 CYP1A2 (0.40) SMN1; SMN2MEN1KMT2ACYP1A2KCNH2
SCHEMBL3787262 0.86 CYP1A2 (0.40) SMN1; SMN2MEN1KMT2ACYP1A2KCNH2
SCHEMBL8777762 0.84 USP1 (0.39) SMN1; SMN2MEN1KMT2ACYP1A2LMNA
SCHEMBL9607508 0.84 L3MBTL1 (0.46) SMN1; SMN2TP53MEN1KMT2ACYP1A2
SCHEMBL8778144 0.84 USP1 (0.39) SMN1; SMN2CYP1A2LMNANPC1MAPT
SCHEMBL8778472 0.81 TNF (0.38) SMN1; SMN2TP53MEN1KMT2ACYP1A2
SCHEMBL8775517 0.81 CYP1A2 (0.47) SMN1; SMN2TP53MEN1KMT2ACYP1A2
SCHEMBL8778064 0.81 USP1 (0.41) CYP1A2KDM4EUSP1WDR48ABCG2

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 SMN1; SMN2 3646/4885TP53 2126/4885MEN1 571/4885

“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.