SCHEMBL2728993

SCHEMBL2728993

Cc1ccc2c(=O)oc3ccccc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
PIK3CD O00329 3/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CB P42338 3/20 0.50
PIK3CG P48736 3/20 0.50
CASP3 P42574 1/20 0.50
MAOB P27338 2/20 0.49
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
ALDH2 P05091 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL26768142 0.93 NPSR1 (0.53) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL14389015 0.87 NPSR1 (0.64) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL16802064 0.87 SMN1; SMN2 (0.64) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL17899746 0.85 AHR (0.52) KDM4EALDH1A1MAPTLMNAMAOB
SCHEMBL26767068 0.81 KDM4E (0.53) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL16925958 0.81 NPC1 (0.52) KDM4EALDH1A1MAPTLMNAPIK3CD
SCHEMBL29709713 0.80 KMT2A (0.62) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL29416517 0.80 KMT2A (0.62) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL304367 0.80 KMT2A (0.62) NPSR1RXFP1KDM4EALDH1A1L3MBTL1
SCHEMBL13924644 0.79 CDC25A (0.54) NPSR1RXFP1KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094703-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-02-07 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
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US 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 (1 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 NPSR1 664/4885RXFP1 503/4885KDM4E 1908/4885

“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.