SCHEMBL286639

SCHEMBL286639

Cc1cc(Br)c(C)c2c1C(=O)OC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
PIM1 P11309 1/20 0.47
SRC P12931 1/20 0.47
AXL P30530 1/20 0.47
AKT1 P31749 1/20 0.47
KDR P35968 1/20 0.47
NEK2 P51955 1/20 0.47
PLK1 P53350 1/20 0.47
PTK2 Q05397 1/20 0.47
PKN1 Q16512 1/20 0.47
AURKB Q96GD4 1/20 0.47
NEK6 Q9HC98 1/20 0.47
ALK Q9UM73 1/20 0.47
MAOA P21397 2/20 0.38
CYP1A1 P04798 2/20 0.37
IMPDH2 P12268 6/20 0.36
IMPDH1 P20839 5/20 0.36
KCNJ1 P48048 1/20 0.36

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
SCHEMBL286736 0.83 NUAK1 (0.45) NUAK1IGF1RMETPIM1SRC
SCHEMBL12553377 0.76 AKT1 (0.41) NUAK1IGF1RMETPIM1SRC
SCHEMBL286614 0.75 NUAK1 (0.44) NUAK1IGF1RMETPIM1SRC
SCHEMBL2899685 0.73 NUAK1 (0.42) NUAK1IGF1RMETPIM1SRC
SCHEMBL3417433 0.71 MAOA (0.49) NUAK1IGF1RMETPIM1SRC
SCHEMBL20797128 0.70 KDM4E (0.42) MAOAKDM4EALDH1A1HPGDHSD17B10
5,7-Dihydroxy-4-Methylphthalide SCHEMBL3505368 0.69 NUAK1 (0.58) NUAK1IGF1RMETPIM1SRC
SCHEMBL2221729 0.69 KDM4E (0.42) NUAK1IGF1RMETPIM1SRC
SCHEMBL30445186 0.69 KCNJ1 (0.60) MAOAKCNJ1ALDH1A1MAOB
SCHEMBL286899 0.69 KCNJ1 (0.60) MAOAKCNJ1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US 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
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 (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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NUAK1 242/4885IGF1R 1700/4885MET 2158/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NUAK1 242/4885IGF1R 1700/4885MET 2158/4885

“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.