SCHEMBL17470902

SCHEMBL17470902

Fc1cc(-n2cnnn2)cc(F)c1[C@H]1CO1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.45
KCNJ1 P48048 8/20 0.39
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17470901 1.00 NOTUM (0.45) NOTUMKCNJ1MAPTF2ALDH1A1
SCHEMBL16867046 0.81 NOTUM (0.45) NOTUMKCNJ1MAPTF2
SCHEMBL17975491 0.81 NOTUM (0.45) NOTUMKCNJ1MAPTF2
SCHEMBL20335609 0.80 KCNJ1 (0.39) NOTUMKCNJ1
SCHEMBL20335687 0.80 KCNJ1 (0.39) NOTUMKCNJ1
SCHEMBL13823398 0.73 NOTUM (0.63) NOTUMKCNJ1MAPTF2ALDH1A1
SCHEMBL969005 0.73 NOTUM (0.53) NOTUMKCNJ1MAPTF2ALDH1A1
SCHEMBL17470882 0.72 NOTUM (0.53) NOTUMKCNJ1MAPTF2ALDH1A1
SCHEMBL15957096 0.72 NOTUM (0.51) NOTUMKCNJ1MAPTALDH1A1LMNA
SCHEMBL16122115 0.72 NOTUM (0.41) NOTUMKCNJ1MAPTF2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765074-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-19 US disclosed
US-20160024091-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-28 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-20160024091-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4287/4885KCNJ1 2/4885MAPT 4195/4885

“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.