SCHEMBL16698353

SCHEMBL16698353

N=C(NOC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
ALDH1A1 P00352 4/20 0.69
NPC1 O15118 3/20 0.48
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL16698156 0.83 ALDH1A1 (0.51) RAB9AALDH1A1NPC1PTGS2L3MBTL1
SCHEMBL16698330 0.83 CTNNB1 (0.60) RAB9AALDH1A1NPC1PTGS2SMN1; SMN2
SCHEMBL16697358 0.82 RAB9A (0.49) RAB9AALDH1A1NPC1SMN1; SMN2PKM
SCHEMBL16698355 0.81 RAB9A (0.63) RAB9AALDH1A1NPC1L3MBTL1SMN1; SMN2
SCHEMBL16698350 0.81 RAB9A (0.63) RAB9AALDH1A1NPC1L3MBTL1SMN1; SMN2
SCHEMBL16697641 0.77 CTNNB1 (0.50) RAB9AALDH1A1NPC1PTGS2L3MBTL1
SCHEMBL16701197 0.75 NPC1 (0.49) RAB9AALDH1A1NPC1L3MBTL1SMN1; SMN2
SCHEMBL16697680 0.74 MAPT (0.43) RAB9AALDH1A1NPC1PTGS2SMN1; SMN2
SCHEMBL16697795 0.73 RAB9A (0.47) RAB9AALDH1A1NPC1PTGS2SMN1; SMN2
SCHEMBL16697151 0.73 RAB9A (0.47) RAB9AALDH1A1NPC1PTGS2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 RAB9A 465/4885ALDH1A1 1619/4885NPC1 922/4885

“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.