SCHEMBL14720123

SCHEMBL14720123

N#Cc1cc(C(=O)CBr)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
TRPV4 Q9HBA0 2/20 0.39
PTPN1 P18031 2/20 0.35
AKR1B1 P15121 2/20 0.33
POLB P06746 1/20 0.33
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM4 Q14833 1/20 0.31
CNR2 P34972 1/20 0.31
USP14 P54578 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL14720176 0.82 HPGDS (0.41) S1PR3ALDH1A1KDM4E
SCHEMBL2096480 0.79 PTPN1 (0.43) GSK3BPTPN1CYP11B2CYP11B1
SCHEMBL31171409 0.78 TRPV4 (0.44) TRPV4CNR2KDM4E
SCHEMBL14720088 0.78 TRPV4 (0.44) TRPV4CNR2KDM4E
SCHEMBL7752581 0.77 TRPV4 (0.44) TRPV4AKR1B1POLBCYP11B2CYP11B1
SCHEMBL31171398 0.77 TRPV4 (0.47) TRPV4AKR1B1POLBCYP11B2CYP11B1
SCHEMBL9821048 0.75 GSK3B (0.39) GSK3BPTPN1POLBMEN1KMT2A
SCHEMBL30195093 0.75 PTPN1 (0.46) GSK3BPTPN1POLBMEN1KMT2A
SCHEMBL16082919 0.75 PTPN1 (0.46) GSK3BPTPN1POLBMEN1KMT2A
SCHEMBL25310416 0.75 GSK3B (0.54) GSK3BPTPN1ALDH1A1MEN1KMT2A

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-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
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 1562/4885TRPV4 254/4885PTPN1 2780/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GSK3B 1283/4885TRPV4 176/4885PTPN1 2375/4885

“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.