SCHEMBL1725518

SCHEMBL1725518

COc1ccc([N+](=O)[O-])cc1N1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HTR1A P08908 3/20 0.52
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR6 P50406 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 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
SCHEMBL25607591 0.86 LMNA (0.63) LMNAHTR1ADRD2HTR2AALDH1A1
SCHEMBL12040648 0.85 ALDH1A1 (0.57) LMNAHTR1ADRD2HTR2AALDH1A1
SCHEMBL4256046 0.84 DRD2 (0.60) LMNAHTR1ADRD2HTR2AALDH1A1
SCHEMBL1724434 0.82 DRD2 (0.49) LMNAHTR1ADRD2HTR2AALDH1A1
SCHEMBL1725203 0.82 LMNA (0.56) LMNAHTR1ADRD2HTR2AALDH1A1
SCHEMBL4865184 0.81 HTR6 (0.62) LMNAHTR1ADRD2ALDH1A1SMN1; SMN2
SCHEMBL1642194 0.81 ALDH1A1 (0.68) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL311018 0.79 ALDH1A1 (0.47) LMNAHTR1AALDH1A1SMN1; SMN2MAPT
SCHEMBL1815442 0.78 SIRT6 (0.61) LMNAHTR1AALDH1A1MAPTKMT2A
SCHEMBL309959 0.78 ALDH1A1 (0.44) LMNAHTR1AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
EP-2406234-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-01-18 EP disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
WO-2010104899-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-09-16 WO disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 WO disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 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 (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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 LMNA 4786/4885HTR1A 3035/4885DRD2 2095/4885
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors STK24, MAP3K5, MAP3K2 LMNA 4106/4885HTR1A 4320/4885DRD2 4831/4885

“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.