SCHEMBL14719962

SCHEMBL14719962

Cc1c(C#N)cccc1C(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
ALDH1A1 P00352 7/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
TRPA1 O75762 1/20 0.36
P2RX7 Q99572 1/20 0.36
RAB9A P51151 1/20 0.36
NOTUM Q6P988 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL30375322 0.85 KCNH2 (0.44) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL25768046 0.85 KCNH2 (0.44) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL22763874 0.82 ERCC5 (0.39) ALDH1A1LMNAHTTTSHRL3MBTL1
SCHEMBL11446278 0.81 TSHR (0.41) ALDH1A1LMNATSHRMAPTKMT2A
SCHEMBL1352722 0.79 NOTUM (0.48) ALDH1A1LMNAHTTTSHRKMT2A
SCHEMBL9522265 0.79 MAPT (0.44) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL30675636 0.79 NOTUM (0.48) ALDH1A1LMNAHTTTSHRKMT2A
SCHEMBL30148729 0.79 MAPT (0.44) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL13254942 0.77 PARP1 (0.45) ALDH1A1TSHRMAPTPOLBRAB9A
SCHEMBL4741554 0.77 ALDH1A1 (0.40) ALDH1A1LMNATSHRMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
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-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US 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
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
EP-2744499-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
CN-103874493-A Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME 2014-06-18 CN disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 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-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 GSK3B 1562/4885ALDH1A1 1462/4885LMNA 1046/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GSK3B 1283/4885ALDH1A1 1861/4885LMNA 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.