SCHEMBL4549082

SCHEMBL4549082

COc1ccc(CC=O)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
MAOB P27338 1/20 0.47
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
AR P10275 8/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGS1 P23219 1/20 0.40
S1PR1 P21453 2/20 0.40

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
SCHEMBL286682 0.90 AR (0.48) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL30902476 0.84 XDH (0.43) ALDH1A1KDM4EMAOBARS1PR1
SCHEMBL7670516 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL11158058 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL13461882 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2020304 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL14045403 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL1329661 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29413275 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4696820 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2771005-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2013062892-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1549/4885KDM4E 1908/4885USP2 4693/4885
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1861/4885KDM4E 2161/4885USP2 4841/4885

“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.