SCHEMBL286469

SCHEMBL286469

COc1cc(CC=O)cc2c1C(=O)OC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
PDE5A O76074 1/20 0.44
PDE4A P27815 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE3A Q14432 1/20 0.44
HTT P42858 5/20 0.39
MAPT P10636 4/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL286747 0.88 CYP3A4 (0.51) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL2730019 0.81 KDM4E (0.39) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL286768 0.81 KDM4E (0.49) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL10286715 0.78 KCNJ1 (0.37) IMPDH2LMNAKDM4ESMN1; SMN2GAA
SCHEMBL15191613 0.78 KCNJ1 (0.37) IMPDH2LMNAKDM4ESMN1; SMN2GAA
SCHEMBL29434781 0.76 KDM4E (0.71) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL2060122 0.76 KDM4E (0.71) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL20231727 0.74 CYP3A4 (0.53) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL31496832 0.74 CYP3A4 (0.53) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2
SCHEMBL12151401 0.74 IMPDH2 (0.47) IMPDH2LMNAKDM4ECYP3A4SMN1; SMN2

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 IMPDH2 1954/4885LMNA 1188/4885KDM4E 1977/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 IMPDH2 1954/4885LMNA 1188/4885KDM4E 1977/4885

“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.