SCHEMBL781400

SCHEMBL781400

Cc1cn([C@@]2([SeH])C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
ALB P02768 2/20 0.40
BLM P54132 2/20 0.40
POLB P06746 1/20 0.40
ADRA1A P35348 1/20 0.40
PKM P14618 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL29364921 0.85 TK1 (0.45) TK1ALDH1A1LMNAALBBLM
SCHEMBL16830721 0.85 TK1 (0.43) TK1ALDH1A1NPSR1LMNAALB
SCHEMBL4809531 0.84 TK1 (0.44) TK1ALDH1A1LMNAALBBLM
SCHEMBL135210 0.84 TK1 (0.44) TK1ALDH1A1NPSR1LMNAALB
SCHEMBL16187026 0.84 TK1 (0.44) TK1ALDH1A1NPSR1LMNAALB
SCHEMBL4542149 0.83 TK1 (0.43) TK1ALDH1A1LMNAALBBLM
SCHEMBL7537552 0.83 TK1 (0.43) TK1ALDH1A1LMNAALBBLM
SCHEMBL5849101 0.83 TK1 (0.43) TK1ALDH1A1LMNAALBBLM
SCHEMBL660497 0.83 TK1 (0.45) TK1ALDH1A1LMNAALBBLM
SCHEMBL8438314 0.83 TK1 (0.43) TK1ALDH1A1LMNAALBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics SENA RESEARCH, INC. (US) 2012-03-22 US claimed
WO-2010135564-A2 NOVEL COMPOUNDS AND DERIVATIZATION OF DNAS AND RNAS ON THE NUCLEOBASES OF PYRIMIDINES FOR FUNCTION, STRUCTURE, AND THERAPEUTICS SENA RESEARCH, INC. (US) 2010-11-25 WO claimed
US-8809357-B2 Compounds and derivatizations of DNAs and RNAs on the nucleobases of pyrimidines for function, structure and therapeutics HUANG, ZHEN, DR. 2014-08-19 US disclosed
US-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics SENA RESEARCH, INC. (US) 2012-03-22 US disclosed
WO-2010135564-A2 NOVEL COMPOUNDS AND DERIVATIZATION OF DNAS AND RNAS ON THE NUCLEOBASES OF PYRIMIDINES FOR FUNCTION, STRUCTURE, AND THERAPEUTICS SENA RESEARCH, INC. (US) 2010-11-25 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-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics NSUN2, RNMT, TRDMT1 TK1 59/4885ALDH1A1 736/4885NPSR1 3034/4885

“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.