SCHEMBL19699541

SCHEMBL19699541

CC(C)C(=O)Nc1cc(OC[C@H](O)CO)ccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 5/20 0.46
MAPT P10636 7/20 0.46
GSK3B P49841 7/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TYK2 P29597 1/20 0.44
AAK1 Q2M2I8 1/20 0.40
SCN9A Q15858 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
GCK P35557 1/20 0.40
BRAF P15056 1/20 0.39
GSK3A P49840 2/20 0.39
MAPK10 P53779 2/20 0.39
ACVRL1 P37023 1/20 0.39

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
SCHEMBL19699543 1.00 RIOK2 (0.46) RIOK2MAPTGSK3BTSHRMAPK1
SCHEMBL19699470 0.90 RIOK2 (0.46) RIOK2MAPTGSK3BTYK2AAK1
SCHEMBL19699522 0.90 RIOK2 (0.46) RIOK2MAPTGSK3BTYK2AAK1
SCHEMBL19706483 0.87 AAK1 (0.49) MAPTTSHRMAPK1AAK1PDE3B
SCHEMBL19706486 0.87 AAK1 (0.49) MAPTTSHRMAPK1AAK1PDE3B
SCHEMBL9813337 0.85 ADORA3 (0.42) RIOK2MAPTGSK3BTSHRMAPK1
SCHEMBL22240253 0.84 NR3C2 (0.47) TSHRMAPK1PDE3BPDE3AP2RY12
SCHEMBL19728667 0.83 RIOK2 (0.49) RIOK2MAPTGSK3BTYK2SCN9A
SCHEMBL24598427 0.82 NPC1 (0.51) RIOK2MAPTGSK3BTSHRTYK2
SCHEMBL19728670 0.82 RIOK2 (0.48) RIOK2MAPTGSK3BTYK2SCN9A

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
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 (3 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 RIOK2 2825/4885MAPT 306/4885GSK3B 2322/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RIOK2 2619/4885MAPT 290/4885GSK3B 2340/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RIOK2 2619/4885MAPT 290/4885GSK3B 2340/4885

“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.