SCHEMBL13475404

SCHEMBL13475404

CC[C@@H](CO)OCn1cc(I)c2c(Cl)nc(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
VCP P55072 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSP90AA1 P07900 13/20 0.35
PDE3A Q14432 1/20 0.32
HSP90AB1 P08238 2/20 0.31
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31

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
SCHEMBL13475348 0.81 ADK (0.41) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13060279 0.81 BLM (0.54) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL3797209 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL887895 0.76 MEN1 (0.39) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10228146 0.73 KMT2A (0.34) MEN1ALDH1A1KMT2AHSP90AA1
SCHEMBL10389964 0.69 DYRK3 (0.56) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583145 0.69 MEN1 (0.62) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL3804738 0.69 HSP90AA1 (0.54) ALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL13071348 0.69 BLM (0.47) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13379601 0.68 ALDH1A1 (0.48) MEN1ALDH1A1LMNACYP3A4NFKB1

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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING UNG, NT5C2, NT5E MEN1 2875/4885ALDH1A1 1889/4885LMNA 357/4885

“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.