SCHEMBL13032633

SCHEMBL13032633

O=C(NCCCCCCN1C[C@H](O)C[C@H]1CO)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.50
HTT P42858 1/20 0.49
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
DPP8 Q6V1X1 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 4/20 0.44
DPP4 P27487 2/20 0.44
DPP9 Q86TI2 2/20 0.44
PREP P48147 1/20 0.43
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL20494122 1.00 TGM2 (0.50) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL24779593 0.88 KEAP1 (0.40) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL13032646 0.86 TGM2 (0.51) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL16281706 0.84 PREP (0.54) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL3426821 0.84 PREP (0.54) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL13032648 0.84 PREP (0.54) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL18349643 0.82 HTT (0.47) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL13032587 0.79 GAA (0.52) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL9874334 0.76 HTT (0.79) TGM2HTTKEAP1NFE2L2DPP8
SCHEMBL15346534 0.76 HTT (0.79) TGM2HTTKEAP1NFE2L2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 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-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-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-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-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-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-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-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 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 (4 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-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 TGM2 3248/4885HTT 1329/4885KEAP1 1695/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 TGM2 3248/4885HTT 1329/4885KEAP1 1695/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 TGM2 3248/4885HTT 1329/4885KEAP1 1695/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 TGM2 3248/4885HTT 1329/4885KEAP1 1695/4885

“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.