SCHEMBL2497690

SCHEMBL2497690

CC(=O)O[C@H]1C[C@H](n2cc(C#CCNC(=O)C(Cl)Cl)cc2[N+](=O)[O-])O[C@@H]1CO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.34
POLB P06746 1/20 0.32
ADRA2A P08913 2/20 0.32
DRD5 P21918 2/20 0.32
P2RY6 Q15077 2/20 0.32
ADRA2B P18089 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC6A2 P23975 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL2497342 0.88 SLC29A1 (0.35)
SCHEMBL16085903 0.84 RNASE1 (0.37) RNASE1POLBKDM4ESLC6A2
SCHEMBL2497688 0.81 RNASE1 (0.33) RNASE1POLB
SCHEMBL2495776 0.80 P2RY6 (0.38) ADRA2ADRD5P2RY6ADRA2BSIGMAR1
SCHEMBL16085973 0.74 LMNA (0.39) ADRA2ADRD5P2RY6ADRA2BSIGMAR1
SCHEMBL2495318 0.70 ACHE (0.34)
SCHEMBL16086287 0.69 TYMS (0.39) POLBP2RY6
SCHEMBL2498542 0.69 TK1 (0.42)
SCHEMBL16086017 0.69 DNMT1 (0.33)
SCHEMBL2497338 0.69 LMNA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1970445-B1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS RIKEN (JP) 2012-09-26 EP disclosed
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 EP 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT RNASE1 286/4885POLB 8/4885ADRA2A 4308/4885

“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.