SCHEMBL10126593

SCHEMBL10126593

NCCOCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ HPGD P15428 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GLS O94925 1/20 0.49
▸ HEXA P06865 1/20 0.47
▸ HEXB P07686 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46

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
SCHEMBL12317642 1.00 GAA (0.51) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL11957411 0.98 HPGD (0.53) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL8862746 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL8862856 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL7519591 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL8862940 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL2743018 0.89 HPGD (0.61) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL25042416 0.86 RAB9A (0.54) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL30274343 0.86 RAB9A (0.54) GAAHPGDNPSR1RAB9ANPC1
Fluoride SCHEMBL29965325 0.85 RAB9A (0.53) GAAHPGDNPSR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344125-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
US-8344125-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-01-01 — — US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-20110224383-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR METAL-FREE CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2011-09-15 — — US disclosed
US-7893277-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2011-02-22 — — US disclosed
US-7858648-B2 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-12-28 — — US disclosed
US-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES (US) 2010-11-04 — — US disclosed
US-20100179309-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-07-15 — — US disclosed
US-20100179309-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-07-15 — — US disclosed
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2010-06-24 — — US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 — — US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — US disclosed
US-20080076816-A1 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA THE UNIVERSITY OF MANCHESTER (GB) 2008-03-27 — — 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 (5 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-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 GAA 142/4885HPGD 1134/4885NPSR1 3682/4885
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 GAA 142/4885HPGD 1134/4885NPSR1 3682/4885
US-20080076816-A1 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA DNTT, EEA1, DCTN1 GAA 1402/4885HPGD 3497/4885NPSR1 3721/4885
US-20100179309-A1 MODIFIED iRNA AGENTS HNRNPA0, HNRNPA1, SNRPA GAA 1249/4885HPGD 3979/4885NPSR1 1771/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 GAA 142/4885HPGD 1134/4885NPSR1 3682/4885

“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.

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