SCHEMBL2903036

SCHEMBL2903036

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 3/20 0.50
VCAM1 P19320 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
RAF1 P04049 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
HTT P42858 1/20 0.44
TPMT P51580 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2900847 0.91 MAPT (0.49) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL22081923 0.86 MAPT (0.52) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL30159180 0.86 MAPT (0.52) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL29621637 0.84 GPR35 (0.54) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL2809633 0.84 LMNA (0.53) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL752806 0.84 GPR35 (0.54) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL645817 0.83 VCAM1 (0.55) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL4892239 0.83 TPMT (0.56) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL1759189 0.83 MAPT (0.50) MAPTPOLBLMNAVCAM1KDM4E
SCHEMBL31057272 0.83 PKM (0.42) MAPTPOLBLMNAVCAM1KDM4E

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 MAPT 4643/4885POLB 1480/4885LMNA 3880/4885

“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.