SCHEMBL546926

SCHEMBL546926

C[C@@H](O)[C@H](N)C(=O)NC(=O)Nc1n[c]nc2nc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BRAF P15056 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 8/20 0.32
CYP1A2 P05177 2/20 0.32
HIF1A Q16665 1/20 0.32
MKNK1 Q9BUB5 2/20 0.31
GDA Q9Y2T3 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CREBBP Q92793 1/20 0.30

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
SCHEMBL5566830 0.89 SMN1; SMN2 (0.38) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL23748507 0.83 NPC1 (0.55) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL17372559 0.83 NPC1 (0.55) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL29638101 0.83 NPC1 (0.55) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL546925 0.82
SCHEMBL17372418 0.79 CYP1A2 (0.46) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL29638102 0.79 CYP1A2 (0.46) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL545883 0.78 NPC1 (0.38) NPC1RAB9ABRAFSMN1; SMN2BRD4
SCHEMBL546176 0.77 CHEK1 (0.32) HSD17B10
SCHEMBL17372562 0.73 NPC1 (0.35) NPC1RAB9ABRAFSMN1; SMN2

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 133 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-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 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 234/4885BRAF 3928/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885BRAF 3603/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 NPC1 191/4885RAB9A 323/4885BRAF 2871/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL NPC1 2213/4885RAB9A 1236/4885BRAF 2876/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 NPC1 193/4885RAB9A 2350/4885BRAF 3198/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885BRAF 3603/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 NPC1 193/4885RAB9A 2350/4885BRAF 3198/4885
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 311/4885BRAF 2338/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 NPC1 65/4885RAB9A 379/4885BRAF 3603/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 NPC1 3136/4885RAB9A 1587/4885BRAF 4362/4885

“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.