SCHEMBL10109648

SCHEMBL10109648

Nc1nc2c(nc(Br)n2C2CC(O)C(CO)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.54
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP3A4 P08684 1/20 0.44
ADRB1 P08588 1/20 0.44
DNMT1 P26358 1/20 0.44
POLB P06746 1/20 0.44
PDE7A Q13946 2/20 0.43
PDE7B Q9NP56 2/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TK1 P04183 1/20 0.42

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
SCHEMBL20310514 1.00 PNP (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL13351290 1.00 PNP (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL13318964 1.00 PNP (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL657360 1.00 PNP (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL14543297 1.00 PNP (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL657361 1.00 PNP (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL1401218 0.96 PNP (0.51) PNPALDH1A1MAPTBLMPMP22
SCHEMBL7047708 0.91 ADORA3 (0.54) PNPALDH1A1MAPTBLMPMP22
SCHEMBL655857 0.89 PNP (0.65) PNPMAPTCYP3A4ADRB1DNMT1
SCHEMBL655858 0.89 PNP (0.65) PNPMAPTCYP3A4ADRB1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095077-A1 METHODS AND COMPOSITIONS RELATED TO MODIFIED GUANINE BASES FOR CONTROLLING OFF-TARGET EFFECTS IN RNA INTERFERENCE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-04-19 US disclosed
US-20120095077-A1 METHODS AND COMPOSITIONS RELATED TO MODIFIED GUANINE BASES FOR CONTROLLING OFF-TARGET EFFECTS IN RNA INTERFERENCE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-04-19 US disclosed
WO-2010111290-A1 METHODS AND COMPOSITIONS RELATED TO MODIFIED GUANINE BASES FOR CONTROLLING OFF-TARGET EFFECTS IN RNA INTERFERENCE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-09-30 WO 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-20120095077-A1 METHODS AND COMPOSITIONS RELATED TO MODIFIED GUANINE BASES FOR CONTROLLING OFF-TARGET EFFECTS IN RNA INTERFERENCE NSUN2, RNMT, NSUN3 PNP 309/4885ALDH1A1 4274/4885MAPT 4672/4885

“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.