SCHEMBL2569005

SCHEMBL2569005

O=[N+]([O-])c1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MME P08473 1/20 0.51
PGR P06401 3/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP2 O95551 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL14071591 0.83 TSHR (0.52) TSHRLMNAMAPTALDH1A1KDM4E
SCHEMBL4516641 0.82 TSHR (0.64) TSHRLMNAMAPTALDH1A1PGR
SCHEMBL7838339 0.82 LMNA (0.64) TSHRLMNAMAPTALDH1A1PGR
SCHEMBL6738366 0.82 TSHR (0.76) TSHRLMNAMAPTALDH1A1GAA
SCHEMBL5927695 0.81 MAPT (0.58) TSHRLMNAMAPTALDH1A1KDM4E
SCHEMBL4667734 0.81 ALDH1A1 (0.63) TSHRLMNAMAPTALDH1A1PGR
Dinitrophenylene SCHEMBL27994718 0.81 TSHR (0.63) TSHRLMNAALDH1A1L3MBTL1ALOX15
SCHEMBL94846 0.80 TSHR (0.67) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL30036663 0.80 TSHR (0.67) TSHRLMNAALDH1A1ALOX15CYP1A2
SCHEMBL12646558 0.80 FFAR1 (0.66) MAPTALDH1A1KDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
WO-2010110888-A1 QUANTUM CONFINEMENT SOLAR CELL FABRIACATED BY ATOMIC LAYER DEPOSITION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-30 WO disclosed
US-20100240167-A1 Quantum confinement solar cell fabricated by atomic layer deposition THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-09-23 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 TSHR 2387/4885LMNA 677/4885MAPT 3754/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP TSHR 2798/4885LMNA 591/4885MAPT 3869/4885

“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.