SCHEMBL12464370

SCHEMBL12464370

O=[N+]([O-])c1cccc2c1ccn2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.43
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
TK1 P04183 3/20 0.40
ADRB1 P08588 1/20 0.40
DNMT1 P26358 1/20 0.40
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
TK2 O00142 1/20 0.38
CYP1A2 P05177 2/20 0.37
HBB P68871 1/20 0.37
TYMS P04818 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 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
SCHEMBL12464623 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL9127598 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL9127601 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL18025737 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL18923486 0.82 ADRB1 (0.42) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL16901866 0.82 ADRB1 (0.42) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5556184 0.81 SLC29A1 (0.52) SLC29A1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9127997 0.81 SLC29A1 (0.48) SLC29A1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9128002 0.81 SLC29A1 (0.48) SLC29A1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9127726 0.80 ADRB1 (0.46) LMNASMN1; SMN2ALOX12ADRA1ATK1

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
US-9416155-B2 Direct sensing of molecular species by polyfluors on a DNA backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-16 US disclosed
US-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2012-12-06 US disclosed
US-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2012-12-06 US disclosed
WO-2011081939-A1 DIRECT SENSING OF MOLECULAR SPECIES BY POLYFLUORS ON A DNA BACKBONE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-07-07 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-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone ERCC4, POLL, POLQ SLC29A1 61/4885LMNA 189/4885SMN1; SMN2 2186/4885

“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.