SCHEMBL2733341

SCHEMBL2733341

CC(=O)Oc1ccc(C#N)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 2/20 0.42
ACHE P22303 2/20 0.41
CUL4A Q13619 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 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
SCHEMBL28397412 0.87 LMNA (0.43) LMNAKDM4ECYP3A4ACHECUL4A
SCHEMBL2723599 0.82 AR (0.56) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL27935121 0.81 KDM4E (0.56) LMNAKDM4ECYP3A4ACHECUL4A
SCHEMBL14366477 0.80 CYP11B2 (0.46) LMNAKDM4ECYP3A4ACHECUL4A
SCHEMBL8071507 0.80 AR (0.54) LMNAKDM4ECYP3A4ACHECUL4A
SCHEMBL17871737 0.79 CYP11B1 (0.43) KDM4EALDH1A1KMT2AARMAOB
SCHEMBL15201858 0.78 AR (0.47) KDM4EALDH1A1MAPTPOLBGLA
SCHEMBL5630201 0.78 CYP3A4 (0.47) LMNAKDM4ECYP3A4ACHECUL4A
SCHEMBL5263668 0.78 ACHE (0.54) LMNAKDM4ECYP3A4ACHECUL4A
SCHEMBL21728056 0.77 LMNA (0.43) LMNAKDM4ECYP3A4ACHECUL4A

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
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 LMNA 1188/4885KDM4E 1977/4885CYP3A4 4249/4885

“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.