SCHEMBL3630509

SCHEMBL3630509

NC1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CDA P32320 6/20 0.44
▸ SLC28A1 O00337 1/20 0.44
▸ SLC28A2 O43868 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44
▸ SLC28A3 Q9HAS3 1/20 0.44
▸ MTOR P42345 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HTT P42858 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
SCHEMBL6906558 1.00 LMNA (0.45) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL25188377 0.88 CDA (0.43) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL31436719 0.87 CDA (0.42) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL10903345 0.87 CDA (0.42) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL29845228 0.85 CDA (0.41) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL4751008 0.85 LMNA (0.42) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL17440122 0.85 CDA (0.41) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL27845966 0.85 CDA (0.41) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL22978939 0.85 CDA (0.41) LMNASMN1; SMN2ALDH1A1POLBCDA
SCHEMBL10903331 0.85 LMNA (0.42) LMNASMN1; SMN2ALDH1A1POLBCDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110719954-B Therapeutic agent for glycogen storage disease type III 奥特吉尼克斯制药公司 2023-12-26 — — CN disclosed
US-20140171635-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK BIOSCIENCES, INC. (US) 2014-06-19 — — US disclosed
US-8541555-B2 Hydrazone-based and oxime-based fluorescent and chromophoric/pro-fluorescent and pro-chromophoric reagents and linkers SOLULINK BIOSCIENCES, INC. (US) 2013-09-24 — — US disclosed
EP-2150858-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS Solulink, INC. (US) 2010-02-10 — — EP disclosed
WO-2008140452-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK, INC. (US) 2008-11-20 — — WO disclosed
US-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids AUDAX PRIVATE DEBT LLC, AS AGENT 2008-09-11 — — US disclosed
US-7402588-B2 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane EMORY UNIVERSITY (US) 2008-07-22 — — US disclosed
US-20060276492-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane LIOTTA DENNIS C 2006-12-07 — — US disclosed
US-4749647-A Polymerization-induced separation assay using recognition pairs GENETIC SYSTEMS CORPORATION (US) 1988-06-07 — — 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 (2 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-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids RRP12, MRPS22, HBG2 LMNA 214/4885SMN1; SMN2 3674/4885ALDH1A1 3046/4885
US-20060276492-A1 Antiviral activity and resolution of 2-hydroxymethyl-5-(5-fluorocytosin-1-yl)-1,3-oxathiolane PNP, MTAP, ENTPD5 LMNA 2588/4885SMN1; SMN2 2807/4885ALDH1A1 1258/4885

“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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