SCHEMBL10178025

SCHEMBL10178025

CC(C)[C@H](OCc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.40
TYMS P04818 2/20 0.35
HDAC1 Q13547 6/20 0.34
RNASE1 P07998 1/20 0.33

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
SCHEMBL2064717 1.00 TOP2A (0.40) TOP2ATYMSHDAC1RNASE1
SCHEMBL12570236 0.93 TOP2A (0.41) TOP2ATYMSHDAC1RNASE1
SCHEMBL1514938 0.93 TOP2A (0.41) TOP2ATYMSHDAC1RNASE1
SCHEMBL14680039 0.93 TK2 (0.34) TOP2ATYMSRNASE1
SCHEMBL16728042 0.93 TK2 (0.34) TOP2ATYMSRNASE1
SCHEMBL10178371 0.92 TOP2A (0.40) TOP2ATYMSHDAC1RNASE1
SCHEMBL14938384 0.92 TOP2A (0.40) TOP2ATYMSHDAC1RNASE1
SCHEMBL2064422 0.91 TOP2A (0.40) TOP2ATYMSHDAC1
SCHEMBL10178101 0.91 TOP2A (0.40) TOP2ATYMSHDAC1
SCHEMBL2065627 0.87 TOP2A (0.44) TOP2ATYMSHDAC1RNASE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed
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 TOP2A 117/4885TYMS 35/4885HDAC1 4499/4885

“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.