SCHEMBL564394

SCHEMBL564394

O=C(OCCCCCCCCO)c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP2 O95551 2/20 0.37
LMNA P02545 3/20 0.36
TBXAS1 P24557 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 2/20 0.34
ACHE P22303 4/20 0.33
APP P05067 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL8863229 0.86 LMNA (0.50) NPC1RAB9ALMNATSHRALDH1A1
SCHEMBL9738958 0.86 LMNA (0.50) NPC1RAB9ALMNATSHRALDH1A1
SCHEMBL1961672 0.84 LMNA (0.49) NPC1RAB9ALMNATDP1TSHR
SCHEMBL29045186 0.83 NPC1 (0.38) NPC1RAB9ALMNATBXAS1TDP1
SCHEMBL2421526 0.83 LMNA (0.54) NPC1RAB9ALMNATDP1TSHR
SCHEMBL9797904 0.81 TSHR (0.50) NPC1RAB9ALMNATBXAS1TDP1
SCHEMBL9005008 0.80 NPC1 (0.37) NPC1RAB9ATBXAS1KMT2AALDH1A1
SCHEMBL25475157 0.79 NPC1 (0.40) NPC1RAB9ALMNATBXAS1KMT2A
SCHEMBL10815933 0.79 KMT2A (0.41) NPC1RAB9ALMNATBXAS1KMT2A
SCHEMBL29045209 0.79 NPC1 (0.40) NPC1RAB9ALMNATBXAS1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104818276-B Single-stranded nucleic acid molecules for controlling gene expression 株式会社博纳克 2020-12-11 CN disclosed
US-9206422-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-08 US disclosed
US-9200278-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-01 US disclosed
EP-2639307-B1 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORP (JP) 2015-03-04 EP disclosed
EP-2628801-B1 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORP (JP) 2015-01-07 EP disclosed
EP-2674494-B1 Single-stranded RNA molecule having nitrogen-containing alicyclic skeleton BONAC CORP (JP) 2014-12-17 EP disclosed
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-20140171486-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
EP-2674494-A1 Single-stranded RNA molecule having nitrogen-containing alicyclic skeleton Bonac Corporation (JP) 2013-12-18 EP disclosed
EP-2436767-B1 Single-stranded RNA molecule having nitrogen-containing alicyclic skeleton BONAC CORP (JP) 2013-11-20 EP disclosed
EP-2639307-A2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton Bonac Corporation (JP) 2013-09-18 EP disclosed
EP-2628801-A1 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton Bonac Corporation (JP) 2013-08-21 EP disclosed
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON BONAC CORPORATION (JP) 2012-02-09 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 (2 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-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton NSUN2, CTDSP1, RNGTT NPC1 3364/4885RAB9A 4285/4885TDP2 1552/4885
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON NSUN2, CTDSP1, RNGTT NPC1 3364/4885RAB9A 4285/4885TDP2 1552/4885

“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.