SCHEMBL12230438

SCHEMBL12230438

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)C2O)cc1C#CCNC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MTOR P42345 2/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
BLM P54132 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GMNN O75496 1/20 0.46
NFKB1 P19838 1/20 0.46
DNMT1 P26358 1/20 0.46
THPO P40225 1/20 0.46
RAB9A P51151 1/20 0.46
HBB P68871 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL2544217 1.00 LMNA (0.46) LMNAALDH1A1MTORTP53HTT
SCHEMBL12937911 1.00 LMNA (0.46) LMNAALDH1A1MTORTP53HTT
SCHEMBL2544209 1.00 LMNA (0.46) LMNAALDH1A1MTORTP53HTT
SCHEMBL19646992 1.00 LMNA (0.46) LMNAALDH1A1MTORTP53HTT
SCHEMBL12253298 0.84 DNMT1 (0.33) DNMT1
SCHEMBL2119424 0.84 DNMT1 (0.49) LMNADNMT1SMN1; SMN2
SCHEMBL2611588 0.84 DNMT1 (0.49) LMNADNMT1SMN1; SMN2
SCHEMBL6815174 0.84 DNMT1 (0.33) DNMT1
SCHEMBL22219920 0.84 DNMT1 (0.49) LMNADNMT1SMN1; SMN2
SCHEMBL2119433 0.84 DNMT1 (0.49) LMNADNMT1SMN1; SMN2

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-20110262917-A1 MODIFIED NUCLEOTIDES PIERCE BIOTECHNOLOGY, INC. (US) 2011-10-27 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 (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-20110262917-A1 MODIFIED NUCLEOTIDES NUDT1, RNMT, RNGTT LMNA 206/4885ALDH1A1 2422/4885MTOR 4671/4885

“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.