SCHEMBL2733458

SCHEMBL2733458

COC(=O)C1COc2cc(-n3cnnn3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
KMT2A Q03164 7/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43
KCNJ1 P48048 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2731061 0.86 SMN1; SMN2 (0.44) TP53KMT2AUSP2ALDH1A1MAPT
SCHEMBL15825922 0.76 TP53 (0.49) TP53KMT2AUSP2KCNJ1KDM4E
SCHEMBL15211430 0.73 ESR1 (0.42) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL1679129 0.72 MAP3K14 (0.44) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL30016781 0.72 FFAR1 (0.39) TP53ALDH1A1MAPTHTT
SCHEMBL21557569 0.72 FFAR1 (0.39) TP53ALDH1A1MAPTHTT
SCHEMBL31432485 0.72 MTNR1A (0.47) TP53USP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2729054 0.72 GAA (0.36) ALDH1A1KDM4E
SCHEMBL31661184 0.70 MAPT (0.47) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13576751 0.69 GLS (0.46) KMT2AALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 4844/4885KMT2A 1177/4885USP2 4693/4885

“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.