SCHEMBL1068541

SCHEMBL1068541

COC(=O)c1c(N)c([N+](=O)[O-])cc(Br)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 3/20 0.48
CTSB P07858 1/20 0.43
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
TPMT P51580 1/20 0.40
ABCC4 O15439 1/20 0.39
PLIN1 O60240 1/20 0.39
CACNA1F O60840 1/20 0.39

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
SCHEMBL31451704 0.84 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL3520372 0.84 SMN1; SMN2 (0.48) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL17375014 0.84 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL2624003 0.84 L3MBTL1 (0.42) MAPTL3MBTL1SMN1; SMN2POLBCTSB
SCHEMBL1868433 0.84 ALDH1A1 (0.41) MAPTL3MBTL1SMN1; SMN2POLBCTSB
SCHEMBL3985537 0.82 KDM4E (0.46) MAPTL3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL3516661 0.81 SMN1; SMN2 (0.44) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL11144125 0.81 ALDH1A1 (0.45) MAPTL3MBTL1SMN1; SMN2POLBCTSB
SCHEMBL3518479 0.80 KDM4E (0.45) MAPTL3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL7823436 0.78 MAPT (0.56) MAPTL3MBTL1SMN1; SMN2POLBKMT2A

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
CN-101983384-A Prolyl hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2011-03-02 CN disclosed
US-20110039895-A1 PROLYL HYDROXYLASE INHIBITORS Glaxo Smith Kline LLC., a corporation 2011-02-17 US disclosed
EP-2273879-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2011-01-19 EP disclosed
US-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009134850-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-05 WO disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20110039895-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN3, EGLN2 MAPT 4507/4885L3MBTL1 2303/4885SMN1; SMN2 3216/4885
US-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 MAPT 4697/4885L3MBTL1 2715/4885SMN1; SMN2 3777/4885

“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.