SCHEMBL19699569

SCHEMBL19699569

CC(C)C(=O)Nc1ccnc(OCCCO)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.44
RIOK2 Q9BVS4 1/20 0.38
NUDT1 P36639 1/20 0.38
TYK2 P29597 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
MAP4K1 Q92918 1/20 0.37
ADORA3 P0DMS8 4/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
PRKD3 O94806 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL19699605 0.93 MAPK8 (0.43) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL20012077 0.88 MAPK8 (0.43) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL19706492 0.85 MAPK8 (0.46) MAPK8NUDT1ALDH1A1
SCHEMBL19699565 0.83 MAPT (0.53) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL19699575 0.82 MAPT (0.39) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL19699578 0.82 MAPT (0.39) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL19699606 0.81 MAPT (0.39) MAPK8RIOK2NUDT1TYK2SCN10A
SCHEMBL19699544 0.79 MAPK8 (0.41) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL19699465 0.79 MAPK8 (0.41) MAPK8RIOK2TYK2SCN10AMAP4K1
SCHEMBL19728670 0.78 RIOK2 (0.48) RIOK2TYK2MAPTGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885RIOK2 2825/4885NUDT1 435/4885

“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.