SCHEMBL19398293

SCHEMBL19398293

CC(C)(C)c1ccc(-n2cnnn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.52
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
F2 P00734 1/20 0.45
KCNJ1 P48048 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL19398295 0.83 ALDH1A1 (0.54) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL19398291 0.79 KMT2A (0.55) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL14236240 0.79 ALDH1A1 (0.55) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL14200097 0.78 NOTUM (0.73) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL1059987 0.76 MAPT (0.58) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL3373420 0.76 NOTUM (0.53) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL14242836 0.75 NOTUM (0.49) NOTUMALDH1A1MAPTLMNAHTT
Potassium Ion SCHEMBL14142028 0.74 NOTUM (0.56) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL13823398 0.73 NOTUM (0.63) NOTUMALDH1A1MAPTLMNAHTT
SCHEMBL2054614 0.73 NOTUM (0.58) NOTUMALDH1A1MAPTLMNAHTT

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-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9850245-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 US disclosed
US-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-09-28 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-20170275283-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4287/4885ALDH1A1 1722/4885MAPT 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.