SCHEMBL298143

SCHEMBL298143

N#Cc1c(F)ccc2c1CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.34
HSD17B1 P14061 1/20 0.34
PGR P06401 1/20 0.33
HSD11B1 P28845 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
CUL4A Q13619 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
NR3C2 P08235 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL23105965 0.79 EGFR (0.40) NOTUMKDM4EALDH1A1HPGDHSD17B1
SCHEMBL2896403 0.79 NOTUM (0.47) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16798086 0.78 EGFR (0.43) NOTUMKDM4EALDH1A1HPGDUSP8
SCHEMBL30666511 0.75 NOTUM (0.44) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1339423 0.75 NOTUM (0.44) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20190017 0.72 HSD17B1 (0.44) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9274349 0.72 NOTUM (0.47) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL296542 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10HSD17B1
SCHEMBL30667056 0.72 NOTUM (0.47) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1512616 0.72 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP 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-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
CN-102459216-B Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2015-01-28 CN disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2771005-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2013062892-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
CN-102459216-A Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2012-05-16 CN disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US 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 (4 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 NOTUM 4541/4885KDM4E 1908/4885ALDH1A1 1549/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4448/4885KDM4E 1977/4885ALDH1A1 1376/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4448/4885KDM4E 1977/4885ALDH1A1 1376/4885
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 NOTUM 4002/4885KDM4E 2161/4885ALDH1A1 1861/4885

“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.