SCHEMBL779334

SCHEMBL779334

O=C(c1ccccc1)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRB1 P08588 1/20 0.40
DNMT1 P26358 1/20 0.40
TK2 O00142 1/20 0.39
RNASE1 P07998 1/20 0.39
ADK P55263 1/20 0.38

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
SCHEMBL2922542 1.00 TK1 (0.42) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21563855 0.87 RNASE1 (0.48) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9443821 0.87 RNASE1 (0.48) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9470943 0.87 LMNA (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL537189 0.87 RNASE1 (0.48) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9470932 0.87 LMNA (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4728022 0.87 TK1 (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6901491 0.85 TK1 (0.43) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9470627 0.84 LMNA (0.55) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6908153 0.84 TK1 (0.46) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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 6 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
US-6605713-B1 Contacting D-nucleic acids with a racemic mixture of the target molecule and allow for binding; producing L-nucleic acids; in vitro selection of DNA/RNA with high binding affinity and stability FURSTE JENS PETER (DE) 2003-08-12 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-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics NSUN2, RNMT, TRDMT1 TK1 59/4885LMNA 889/4885SMN1; SMN2 442/4885

“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.