SCHEMBL3427733

SCHEMBL3427733

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C2CC(O)CN2C(=O)CCCCCN)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KIF11 P52732 1/20 0.36
KCNH2 Q12809 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
ACE P12821 2/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HDAC2 Q92769 1/20 0.34
OPRM1 P35372 1/20 0.34
EPOR P19235 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3427735 0.97 KIF11 (0.38) NPC1RAB9AKIF11KCNH2MMP2
SCHEMBL3428444 0.93 RAB9A (0.38) NPC1RAB9AKIF11ACECHRM5
SCHEMBL3511894 0.90 LTA4H (0.36) NPC1RAB9ACHRM5CHRM1CHRM3
SCHEMBL3423554 0.87 BCL2 (0.37) RAB9ACHRM5CHRM1CHRM3HDAC2
SCHEMBL3422388 0.87 PREP (0.46) MAPTTPSAB1DPP4
SCHEMBL3425256 0.87 ALDH1A1 (0.45) MAPTMEN1KMT2A
SCHEMBL3425813 0.85 KIF11 (0.38) NPC1RAB9AKIF11KCNH2CHRM3
SCHEMBL3422392 0.85 PREP (0.45) CHRM5CHRM1CHRM3MAPTTPSAB1
SCHEMBL3425260 0.84 ALDH1A1 (0.47) MAPTMEN1KMT2A
SCHEMBL3423710 0.83 MMP2 (0.47) NPC1RAB9AKIF11KCNH2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 US disclosed
US-20180258427-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2018-09-13 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20140316124-A1 MODIDIFED iRNA AGENTS BANK OF AMERICA, N.A. 2014-10-23 US disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130211063-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8507661-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-7851615-B2 Lipophilic conjugated iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20080108801-A1 Lipophilic Conjugated iRNA Agents BANK OF AMERICA, N.A. 2008-05-08 US disclosed
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs ALNYLAM PHARMACEUTICALS, INC. 2005-05-19 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 (8 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-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885KIF11 2678/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885KIF11 2678/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885KIF11 2678/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885KIF11 2678/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885KIF11 2678/4885
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs LDLR, SLC29A1, SLC29A2 NPC1 10/4885RAB9A 311/4885KIF11 4064/4885
US-20080108801-A1 Lipophilic Conjugated iRNA Agents NCL, PARP1, HNRNPA1 NPC1 409/4885RAB9A 541/4885KIF11 3032/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885KIF11 2678/4885

“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.