SCHEMBL2728569

SCHEMBL2728569

Cc1c(CC=O)ccc(F)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KCNJ1 P48048 2/20 0.30
MEN1 O00255 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4549080 0.83 CXCR2 (0.33) ALDH1A1KMT2APOLBKDM4E
SCHEMBL2728264 0.80 P2RX7 (0.38) KDM4E
SCHEMBL2730801 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL2723446 0.77 AR (0.35) L3MBTL1TDP1KCNJ1
SCHEMBL23754035 0.74 ERN1 (0.36) ALDH1A1KMT2APOLBKDM4EUSP8
SCHEMBL8090040 0.73 TRPV4 (0.39) ALDH1A1KMT2APOLBKDM4EUSP8
SCHEMBL17192918 0.70 TRPV4 (0.37) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL22155229 0.69 CXCR2 (0.35) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL6927900 0.69 SMN1; SMN2 (0.39) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL16047763 0.69 CYP4F2 (0.47) ALDH1A1KMT2APOLBKDM4EL3MBTL1

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 10 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
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US 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-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
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US 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 ALDH1A1 1549/4885KMT2A 1177/4885POLB 4799/4885

“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.