SCHEMBL9293702

SCHEMBL9293702

N#Cc1c(F)ccc(I)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
EPAS1 Q99814 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL422454 0.82 EPAS1 (0.39) TRPV4EPAS1
SCHEMBL186689 0.80 TRPV4 (0.42) TRPV4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28069805 0.78 TRPV4 (0.34) TRPV4EPAS1KDM4EALDH1A1HPGD
SCHEMBL14837971 0.78 EPAS1 (0.31) TRPV4EPAS1ALDH1A1
SCHEMBL2728668 0.78 EPAS1 (0.40) TRPV4EPAS1KDM4EALDH1A1HPGD
SCHEMBL25715391 0.78 NOTUM (0.39) TRPV4EPAS1KDM4EALDH1A1HPGD
SCHEMBL4323122 0.77 TRPV4 (0.48) TRPV4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29914996 0.76 TRPV4 (0.39) TRPV4EPAS1KDM4EALDH1A1HPGD
SCHEMBL27002519 0.76 TRPV4 (0.39) TRPV4EPAS1KDM4EALDH1A1HPGD
SCHEMBL5109158 0.75 KIF11 (0.39) KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
US-5314640-A Tolan derivatives, liquid crystal compositions including same, liquid crystal display devices including the compositions and method of preparation SEIKO EPSON CORPORATION (JP) 1994-05-24 US 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-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 426/4885EPAS1 1636/4885KDM4E 1977/4885

“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.