SCHEMBL16355382

SCHEMBL16355382

CC(=O)N(C)C(C)c1ncc(-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.40
LPL P06858 2/20 0.40
HDAC1 Q13547 6/20 0.37
HDAC3 O15379 3/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
OPRD1 P41143 3/20 0.32
NLN Q9BYT8 2/20 0.32
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
GSK3B P49841 2/20 0.31
DYRK1A Q13627 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL14948297 0.88 LIPG (0.44) LIPGLPLHDAC1NLN
SCHEMBL15114365 0.81 LPL (0.46) LIPGLPLHDAC1NLN
SCHEMBL16355384 0.81 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC6OPRD1
SCHEMBL15114354 0.79 LPL (0.44) LIPGLPLHDAC1NLN
SCHEMBL10182686 0.78 USP30 (0.43) LIPGLPLOPRD1HIF1A
SCHEMBL13070991 0.78 NR1I2 (0.39) LIPGLPLHDAC1HDAC3HDAC2
SCHEMBL16358805 0.77 AAK1 (0.44) LIPGLPLHDAC1GSK3BDYRK1A
SCHEMBL15116616 0.75 AAK1 (0.43) LIPGLPLGSK3BDYRK1AHIF1A
SCHEMBL12158433 0.74 DGAT1 (0.43) LIPGLPLHDAC1OPRD1
SCHEMBL15116600 0.74 AAK1 (0.42) LIPGLPLHDAC1HDAC3HDAC2

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-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 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-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS EIF2AK2, NQO2, IRF3 LIPG 3029/4885LPL 3232/4885HDAC1 1199/4885

“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.