SCHEMBL16697706

SCHEMBL16697706

NC(=NOC(=O)c1c(-c2ccccc2Cl)noc1-c1ccncc1)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.59
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 3/20 0.49
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 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
SCHEMBL16697702 1.00 ADORA3 (0.59) ADORA3NPC1RAB9ALMNATDP1
SCHEMBL16697467 0.94 ADORA3 (0.55) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16697471 0.94 ADORA3 (0.55) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16697704 0.85 LMNA (0.46) ADORA3NPC1RAB9ALMNATDP1
SCHEMBL16698079 0.83 ADORA3 (0.54) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16698072 0.83 ADORA3 (0.54) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16698339 0.82 ADORA3 (0.55) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16698335 0.82 ADORA3 (0.55) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16697460 0.82 ADORA3 (0.53) ADORA3NPC1RAB9ALMNAPKM
SCHEMBL16697464 0.82 ADORA3 (0.53) ADORA3NPC1RAB9ALMNAPKM

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 ADORA3 2615/4885NPC1 922/4885RAB9A 465/4885

“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.