SCHEMBL2498542

SCHEMBL2498542

CC#Cc1cc([N+](=O)[O-])n([C@H]2C[C@H](O)[C@@H](CO)O2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TK2 O00142 1/20 0.41
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRB1 P08588 1/20 0.39
DNMT1 P26358 1/20 0.39
SLC29A1 Q99808 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HBB P68871 1/20 0.39
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL16085903 0.84 RNASE1 (0.37)
SCHEMBL14714996 0.83 TK1 (0.46) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL14946754 0.83 TK1 (0.46) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL2497338 0.82 LMNA (0.36) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL16085973 0.82 LMNA (0.39) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL3205916 0.81 TYMS (0.43)
SCHEMBL20953781 0.81 TK1 (0.51) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL13488841 0.81 TK1 (0.51) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL2494647 0.81 TK1 (0.51) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL14946758 0.81 TK1 (0.51) TK1LMNASMN1; SMN2TK2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781599-B1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN TAGCYX BIOTECHNOLOGIES (JP) 2019-05-08 EP disclosed
US-9873879-B2 Nucleic acid fragment binding to target protein TAGCYX BIOTECHNOLOGIES (JP) 2018-01-23 US disclosed
US-20170073683-A1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN TAGCYX BIOTECHNOLOGIES (JP) 2017-03-16 US disclosed
US-9540650-B2 Nucleic acid fragment binding to target protein TAGCYX BIOTECHNOLOGIES (JP) 2017-01-10 US disclosed
US-9285319-B2 Nucleic acid base analogs with quenching and fluorescent activities and applications thereof RIKEN (JP) 2016-03-15 US disclosed
US-20150119254-A1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN TAGCYX BIOTECHNOLOGIES (JP) 2015-04-30 US disclosed
EP-2781599-A1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN Riken (JP) 2014-09-24 EP disclosed
US-20130122506-A1 NUCLEIC ACID BASE ANALOGS WITH QUENCHING AND FLUORESCENT ACTIVITIES AND APPLICATIONS THEREOF TAGCYX BIOTECHNOLOGIES C/O RIKEN (JP) 2013-05-16 US disclosed
EP-2562255-A1 NUCLEIC ACID BASE ANALOG WITH QUENCHING CHARACTERISTICS AND FLUORESCENCE AND APPLICATION THEREOF Riken (JP) 2013-02-27 EP disclosed
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 (2 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-20150119254-A1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN TARBP1, DNTT, FABP1 TK1 715/4885LMNA 1973/4885SMN1; SMN2 3806/4885
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT TK1 78/4885LMNA 3624/4885SMN1; SMN2 3529/4885

“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.