SCHEMBL14720150

SCHEMBL14720150

COc1c(Br)ccc(C#N)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
GPR35 Q9HC97 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
USP2 O75604 1/20 0.37
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
AR P10275 6/20 0.34
NQO2 P16083 1/20 0.34
PGR P06401 1/20 0.34
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL18854488 0.85 GPR35 (0.37) ALOX5APFEN1GPR35KDM4EALDH1A1
SCHEMBL28193843 0.82 ALDH1A1 (0.40) GPR35KDM4EALDH1A1IMPDH2IMPDH1
SCHEMBL5949926 0.81 AR (0.40) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL7365630 0.79 ALDH1A1 (0.50) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL14915406 0.79 TRPV4 (0.31) ARTRPV4
SCHEMBL120437 0.78 L3MBTL1 (0.39) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL9447055 0.76 TRPV4 (0.39) CYP11B1CYP11B2ARTRPV4
SCHEMBL286442 0.76 GPR35 (0.38) GPR35KDM4EALDH1A1IMPDH2IMPDH1
SCHEMBL152425 0.75 AR (0.40) CYP11B1CYP11B2ARTRPV4
SCHEMBL31195176 0.74 ALDH1A1 (0.49) KDM4EALDH1A1IMPDH2IMPDH1USP2

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-2956142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9604998-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
US-20160002259-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-07 US disclosed
EP-2956142-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-12-23 EP disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
WO-2014126944-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-08-21 WO 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-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 ALOX5AP 4427/4885FEN1 4785/4885GPR35 2926/4885
US-20160002259-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALOX5AP 4229/4885FEN1 4665/4885GPR35 2489/4885

“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.