SCHEMBL2901090

SCHEMBL2901090

COC(=O)c1cc(Br)c(C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MAPT P10636 5/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 2/20 0.46
ABL1 P00519 1/20 0.44
TPMT P51580 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2901128 0.91 VCAM1 (0.48) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL28690833 0.86 VCAM1 (0.51) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL29407123 0.86 VCAM1 (0.51) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL27202793 0.85 VCAM1 (0.43) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL12774975 0.84 VCAM1 (0.50) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL443827 0.84 MEN1 (0.51) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL443612 0.84 ALDH1A1 (0.51) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL30153000 0.84 MEN1 (0.51) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL18113036 0.83 VCAM1 (0.49) VCAM1MAPTKDM4EHPGDABL1
SCHEMBL21839987 0.83 TPMT (0.56) VCAM1MAPTKDM4EHPGDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 VCAM1 3022/4885MAPT 4643/4885KDM4E 206/4885

“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.