SCHEMBL19728670

SCHEMBL19728670

CC(C)C(=O)Nc1cc(OCCCO)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 6/20 0.48
TYK2 P29597 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 6/20 0.43
GSK3B P49841 6/20 0.43
GCK P35557 1/20 0.41
SCN9A Q15858 1/20 0.41
GSK3A P49840 3/20 0.40
MAPK10 P53779 3/20 0.40
ACVRL1 P37023 1/20 0.40
SYK P43405 2/20 0.40
MAP3K5 Q99683 1/20 0.40

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
SCHEMBL19728667 0.93 RIOK2 (0.49) RIOK2TYK2ALDH1A1MAPTGSK3B
SCHEMBL19736190 0.85 ALDH1A1 (0.46) RIOK2TYK2ALDH1A1GCK
SCHEMBL24598427 0.85 NPC1 (0.51) RIOK2TYK2ALDH1A1MAPTGSK3B
SCHEMBL19728668 0.84 RIOK2 (0.46) RIOK2TYK2ALDH1A1MAPTGSK3B
SCHEMBL19728675 0.82 RIOK2 (0.49) RIOK2TYK2ALDH1A1MAPTGSK3B
SCHEMBL19699541 0.82 RIOK2 (0.46) RIOK2TYK2MAPTGSK3BGCK
SCHEMBL19699543 0.82 RIOK2 (0.46) RIOK2TYK2MAPTGSK3BGCK
SCHEMBL19728660 0.81 RIOK2 (0.67) RIOK2TYK2ALDH1A1MAPTGSK3A
SCHEMBL26550286 0.80 HTR7 (0.40) RIOK2ALDH1A1MAPK10
SCHEMBL19699470 0.79 RIOK2 (0.46) RIOK2TYK2ALDH1A1MAPTGSK3B

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RIOK2 2619/4885TYK2 2258/4885ALDH1A1 1067/4885

“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.