SCHEMBL14720129

SCHEMBL14720129

N#Cc1cc(C(=O)CBr)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.54
PTPN1 P18031 6/20 0.50
VNN1 O95497 1/20 0.44
CNR2 P34972 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GRM4 Q14833 1/20 0.39
S1PR3 Q99500 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL29896949 1.00 GSK3B (0.54) GSK3BPTPN1VNN1CNR2CES2
SCHEMBL393951 0.87 GSK3B (0.54) GSK3BPTPN1S1PR3
SCHEMBL20646856 0.83 MAPT (0.47) VNN1CNR2CES2CES1GRM4
SCHEMBL22557680 0.83 VNN1 (0.44) GSK3BVNN1CNR2CES2CES1
SCHEMBL12922920 0.81 VNN1 (0.43) VNN1CNR2CES2CES1GRM4
SCHEMBL15867031 0.80 VNN1 (0.56) VNN1CNR2CES2CES1GRM4
SCHEMBL29896948 0.80 GSK3B (0.54) GSK3BPTPN1
SCHEMBL5165644 0.80 GSK3B (0.54) GSK3BPTPN1
SCHEMBL9821077 0.80 GSK3B (0.50) GSK3BPTPN1VNN1
SCHEMBL356343 0.79 CNR2 (0.49) VNN1CNR2CES2CES1GRM4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 WO disclosed
US-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF ASTEX THERAPEUTICS LIMITED (GB) 2023-01-26 US disclosed
CN-115551500-A 4-aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2022-12-30 CN disclosed
EP-4051266-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-09-07 EP disclosed
WO-2021085653-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-05-06 WO disclosed
WO-2021084765-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF TAIHO PHARMACEUTICAL CO., LTD (JP) 2021-05-06 WO disclosed
WO-2020212350-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 WO disclosed
EP-2934533-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
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-2934533-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-28 EP 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
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
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO 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 (3 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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF KRAS, NRAS, HRAS GSK3B 2585/4885PTPN1 3008/4885VNN1 4447/4885
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 GSK3B 1562/4885PTPN1 2780/4885VNN1 2714/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GSK3B 1283/4885PTPN1 2375/4885VNN1 2219/4885

“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.