SCHEMBL2728192

SCHEMBL2728192

Cc1cc([N+](=O)[O-])ncc1OC(=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ALOX12 P18054 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL2729063 0.74 MITF (0.33) MITFMAPTKMT2APOLBMEN1
SCHEMBL2729580 0.74 MAPT (0.37) MITFMAPTLMNAALDH1A1KMT2A
SCHEMBL2729708 0.73 MAPT (0.40) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL2728906 0.73 CYP1A2 (0.42) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL2728907 0.73 CYP1A2 (0.42) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL2728190 0.71 ALDH1A1 (0.38) MAPTALDH1A1KMT2APOLBKDM4E
SCHEMBL2728187 0.71 ALDH1A1 (0.38) MAPTALDH1A1KMT2APOLBKDM4E
SCHEMBL31571845 0.69 KMT2A (0.38) MAPTALDH1A1KMT2APOLBKDM4E
SCHEMBL31571848 0.69 KMT2A (0.38) MAPTLMNAALDH1A1KMT2APOLB
SCHEMBL624053 0.69 SMN1; SMN2 (0.39) MAPTLMNAALDH1A1KMT2APOLB

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 10 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

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 MITF 2145/4885MAPT 4110/4885LMNA 1030/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 MITF 1610/4885MAPT 4115/4885LMNA 807/4885

“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.