SCHEMBL16697342

SCHEMBL16697342

N=C(NO)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.60
MAOB P27338 5/20 0.59
MAOA P21397 1/20 0.59
F2 P00734 2/20 0.54
APP P05067 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TMPRSS6 Q8IU80 1/20 0.54
ST14 Q9Y5Y6 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMPD1 P17405 2/20 0.49

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
SCHEMBL23588291 0.84 NR4A1 (0.60) NR4A2MAOBMAOAF2PRSS1
SCHEMBL16697981 0.82 NPC1 (0.56) NR4A2MAOBMAOAF2PRSS1
SCHEMBL641475 0.79 LMNA (0.50) ALDH1A1MAPT
SCHEMBL10991891 0.79 MAOB (0.80) NR4A2MAOBMAOAAPPNPC1
SCHEMBL12522020 0.77 MAOB (0.61) NR4A2MAOBMAOAAPPNPC1
SCHEMBL3624903 0.76 MAOB (0.69) NR4A2MAOBMAOAAPPNPC1
SCHEMBL11600066 0.76 MAOB (0.69) NR4A2MAOBMAOAAPPNPC1
SCHEMBL1369316 0.76 NR4A2 (1.00) NR4A2MAOBMAOANPC1RAB9A
SCHEMBL11218725 0.75 NPC1 (0.86) NR4A2MAOBMAOANPC1RAB9A
SCHEMBL548439 0.74 PRSS1 (0.60) MAOAF2PRSS1ST14

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 NR4A2 1048/4885MAOB 3527/4885MAOA 3964/4885

“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.