SCHEMBL2728550

SCHEMBL2728550

O=C(O)CC(=O)Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.47
▸ HSPB1 P04792 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PABPC1 P11940 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDM6B O15054 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ HIF1AN Q9NWT6 1/20 0.41
▸ KDM5B Q9UGL1 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
SCHEMBL17633311 0.83 HSPB1 (0.53) CYP2C19HSPB1GAACYP1A2MEN1
SCHEMBL27888023 0.78 GAA (0.54) CYP2C19HSPB1GAACYP1A2MEN1
SCHEMBL6626480 0.78 ADRA2A (0.51) CYP2C19HSPB1GAACYP1A2MEN1
SCHEMBL2729063 0.78 MITF (0.33) CYP2C19MEN1KMT2APABPC1POLB
SCHEMBL27541463 0.77 MAPT (0.50) CYP2C19HSPB1MEN1KMT2APOLB
SCHEMBL5845962 0.77 PTGS2 (0.56) CYP2C19HSPB1GAACYP1A2MEN1
SCHEMBL18281479 0.76 BCL9 (0.64) CYP2C19GAAMEN1KMT2AMAPT
SCHEMBL27799597 0.74 CYP2C19 (0.55) CYP2C19HSPB1GAACYP1A2MEN1
SCHEMBL27449389 0.73 HSPB1 (0.70) CYP2C19HSPB1GAACYP1A2MEN1
SCHEMBL16973035 0.73 RAB9A (0.48) CYP2C19HSPB1GAACYP1A2MEN1

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-2790511-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-14 — — EP disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 — — US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 — — EP disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 — — US disclosed
EP-2790511-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-10-22 — — EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 — — US disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 — — WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO disclosed
EP-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 — — EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CYP2C19 3469/4885HSPB1 1691/4885GAA 4187/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP2C19 3173/4885HSPB1 1598/4885GAA 3491/4885

“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.

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