SCHEMBL4549080

SCHEMBL4549080

N#Cc1c(F)ccc(CC=O)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.33
KDM4E B2RXH2 1/20 0.31
CHRM5 P08912 1/20 0.31
CX3CR1 P49238 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL2728264 0.83 P2RX7 (0.38) KDM4E
SCHEMBL2728569 0.83 ALDH1A1 (0.34) KDM4EALDH1A1POLBKMT2A
SCHEMBL22155229 0.79 CXCR2 (0.35) CXCR2KDM4ETRPV4ALDH1A1POLB
SCHEMBL6864278 0.77 CTSL (0.39) ALDH1A1
SCHEMBL24108090 0.76 MAPT (0.33) CXCR2KDM4ETRPV4ALDH1A1KMT2A
SCHEMBL20489910 0.76 CD274 (0.39) CXCR2KDM4ECHRM5CX3CR1TRPV4
SCHEMBL29416940 0.76 CD274 (0.39) CXCR2KDM4ECHRM5CX3CR1TRPV4
SCHEMBL27496583 0.75 TRPV4 (0.35) KDM4ETRPV4ALDH1A1
SCHEMBL20283719 0.73 BCAT2 (0.34) CXCR2KDM4ETRPV4ALDH1A1POLB
SCHEMBL21922442 0.72 ERN1 (0.38) KDM4ETRPV4ALDH1A1KMT2A

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
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
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 CXCR2 2006/4885KDM4E 1908/4885CHRM5 2137/4885

“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.