SCHEMBL3425931

SCHEMBL3425931

NP(O)O.O=C1c2ccccc2C(=O)N1N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HTT P42858 1/20 0.43
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
ELANE P08246 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 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
SCHEMBL1001751 0.89 POLB (0.50) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL29643230 0.87 ALDH1A1 (0.49) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL83222 0.87 ALDH1A1 (0.49) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL6193007 0.87 ALDH1A1 (0.49) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL30595375 0.85 POLB (0.50) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL30022123 0.80 POLB (0.54) ALDH1A1POLBKMT2AGAAHPGD
SCHEMBL28420408 0.74 ERCC1 (0.55) ALDH1A1KMT2AHPGDHSD17B10CYP1A2
SCHEMBL28302109 0.73 ALDH1A1 (0.55) ALDH1A1KMT2AHPGDHSD17B10CYP1A2
SCHEMBL29429710 0.72 ERCC1 (0.52) ALDH1A1HTTPOLBKMT2ANPC1
SCHEMBL9579358 0.72 POLB (0.45) ALDH1A1HTTPOLBKMT2AGAA

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 14 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-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-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 (7 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 ALDH1A1 1745/4885HTT 1329/4885POLB 244/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885HTT 1329/4885POLB 244/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885HTT 1329/4885POLB 244/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885HTT 1329/4885POLB 244/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885HTT 1329/4885POLB 244/4885
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 ALDH1A1 1587/4885HTT 1913/4885POLB 1262/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885HTT 1329/4885POLB 244/4885

“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.