SCHEMBL18503527

SCHEMBL18503527

CC[C@H]1[C@@H](O)[C@H](n2ccc(C)nc2=O)O[C@@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MTOR P42345 2/20 0.56
THRB P10828 1/20 0.56
MDM2 Q00987 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
MAPT P10636 1/20 0.47
CDA P32320 1/20 0.47
SLC29A1 Q99808 2/20 0.46
SLC28A1 O00337 1/20 0.46
SLC28A2 O43868 1/20 0.46
SLC28A3 Q9HAS3 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
DNMT1 P26358 1/20 0.44
THPO P40225 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL16229237 0.87 LMNA (0.72) LMNAMTORTHRBMDM2NCOA1
SCHEMBL18503539 0.87 LMNA (0.72) LMNAMTORTHRBMDM2NCOA1
SCHEMBL18512923 0.87 LMNA (0.72) LMNAMTORTHRBMDM2NCOA1
SCHEMBL13026809 0.87 LMNA (0.72) LMNAMTORTHRBMDM2NCOA1
SCHEMBL18720728 0.87 LMNA (0.72) LMNAMTORTHRBMDM2NCOA1
SCHEMBL14418619 0.85 LMNA (0.57) LMNAMTORTHRBMDM2NCOA1
SCHEMBL16311919 0.82 LMNA (0.58) LMNAMTORTHRBMDM2NCOA1
SCHEMBL16556358 0.81 LMNA (0.57) LMNAMTORTHRBMDM2NCOA1
SCHEMBL18512849 0.80 LMNA (0.55) LMNAMTORTHRBMDM2NCOA1
SCHEMBL18512863 0.80 LMNA (0.55) LMNAMTORTHRBMDM2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 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 (1 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 LMNA 1072/4885MTOR 1553/4885THRB 3672/4885

“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.