SCHEMBL545883

SCHEMBL545883

NCC(=O)NC(=O)Nc1n[c]nc2nc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
BRD4 O60885 4/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
BRAF P15056 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.33
NT5C2 P49902 2/20 0.32
ENPP1 P22413 1/20 0.32
TOP2A P11388 1/20 0.32
NT5E P21589 1/20 0.31

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
SCHEMBL17372610 0.82 NPC1 (0.56) NPC1RAB9ACYP1A2HIF1ABRD4
SCHEMBL29638098 0.82 NPC1 (0.56) NPC1RAB9ACYP1A2HIF1ABRD4
SCHEMBL2346676 0.79 MKNK1 (0.41) NPC1RAB9ACYP1A2HIF1ABRD4
SCHEMBL546926 0.78 NPC1 (0.37) NPC1RAB9ACYP1A2HIF1ABRD4
SCHEMBL30928300 0.78 HDAC1 (0.38) NPC1RAB9ABRD4HDAC1HDAC2
SCHEMBL5566830 0.77 SMN1; SMN2 (0.38) NPC1RAB9ACYP1A2HIF1ABRD4
SCHEMBL7264355 0.71 BRD4 (0.67) BRD4HDAC1NT5C2TOP2ANT5E
SCHEMBL17372612 0.70 NPC1 (0.35) NPC1RAB9ABRD4HDAC1HDAC2
SCHEMBL17260458 0.70 SYK (0.47) NPC1RAB9ACYP1A2HIF1ABRD4
SCHEMBL38663949 0.70 BRD4 (0.58) NPC1RAB9ACYP1A2HIF1ABRD4

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US claimed
EP-1625138-A2 PROTECTED MONOMERS Alnylam Pharmaceuticals Inc. (US) 2006-02-15 EP claimed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO claimed
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11530408-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210254065-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. 2021-08-19 US disclosed
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PURETECH LYT, INC. (US) 2021-06-17 US disclosed
US-11015194-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200255833-A1 THERAPEUTIC COMPOSITIONS BANK OF AMERICA, N.A. 2020-08-13 US disclosed
US-10669544-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20050153337-A1 iRNA conjugates ALNYLAM PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid ALNYLAM PHARMACEUTICALS, INC. 2005-06-02 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
WO-2005004794-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASE ALNYLAM PHARMACEUTICALS INC. (US) 2005-01-20 WO disclosed
WO-2004094595-A2 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO disclosed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO disclosed
WO-2004091515-A2 iRNA CONJUGATES ALNYLAM PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004090108-A2 IRNA CONJUGATES ALNYLAM PHARMACEUTICALS (US) 2004-10-21 WO disclosed
WO-2004080406-A2 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2004-09-23 WO 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 (10 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-20050153337-A1 iRNA conjugates AGO2, NSUN3, RNASE1 NPC1 730/4885RAB9A 234/4885CYP1A2 4404/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885CYP1A2 3847/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 NPC1 191/4885RAB9A 323/4885CYP1A2 4588/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL NPC1 2213/4885RAB9A 1236/4885CYP1A2 4817/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 NPC1 193/4885RAB9A 2350/4885CYP1A2 4881/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 NPC1 193/4885RAB9A 2350/4885CYP1A2 4881/4885
US-10669544-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 NPC1 193/4885RAB9A 2350/4885CYP1A2 4881/4885
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 311/4885CYP1A2 4167/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885CYP1A2 3847/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 NPC1 3136/4885RAB9A 1587/4885CYP1A2 2684/4885

“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.