SCHEMBL14099809

SCHEMBL14099809

CCOC(=O)c1cc([N+](=O)[O-])cn1CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
AR P10275 2/20 0.43
MAPT P10636 5/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
POLB P06746 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNF P01375 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1F O60840 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
SCHEMBL7258024 0.90 NPC1 (0.44) NPC1ARMAPTNOD2NOD1
SCHEMBL5889676 0.88 NPC1 (0.47) NPC1ARMAPTNOD2NOD1
SCHEMBL8867147 0.86 AR (0.41) NPC1ARMAPTNOD2NOD1
SCHEMBL26106290 0.85 NPC1 (0.44) NPC1ARMAPTNOD2NOD1
SCHEMBL20644785 0.85 AR (0.46) NPC1ARMAPTNOD2NOD1
SCHEMBL8866941 0.84 NPC1 (0.43) NPC1ARMAPTNOD2NOD1
SCHEMBL1844676 0.84 NPC1 (0.43) NPC1ARMAPTNOD2NOD1
SCHEMBL26374423 0.82 DUT (0.41) NPC1ARMAPTNOD2NOD1
SCHEMBL22825015 0.81 BRD4 (0.43) NPC1ARMAPTNOD2NOD1
SCHEMBL29011151 0.81 MCL1 (0.49) MAPTL3MBTL1

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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 NPC1 2304/4885AR 2806/4885MAPT 4789/4885

“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.