SCHEMBL19699533

SCHEMBL19699533

CC(C)C(=O)Nc1cc(OC[C@H](O)CO)ncn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPT P10636 7/20 0.38
GSK3B P49841 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 0.36
TYK2 P29597 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP2K7 O14733 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19699535 1.00 PRKD3 (0.38) PRKD3MAPK8MAPK9MAPTGSK3B
SCHEMBL19706711 0.89 KDM4E (0.40) L3MBTL1MAPK1TSHRALDH1A1RAB9A
SCHEMBL19736275 0.89 KDM4E (0.40) L3MBTL1MAPK1TSHRALDH1A1RAB9A
SCHEMBL19706703 0.86 L3MBTL1 (0.54) MAPK8MAPTL3MBTL1MAPK1TSHR
SCHEMBL19706700 0.86 L3MBTL1 (0.54) MAPK8MAPTL3MBTL1MAPK1TSHR
SCHEMBL19699549 0.81 MAPK8 (0.49) MAPK8MAPTMAPK1TSHRALDH1A1
SCHEMBL19699584 0.81 MAPK8 (0.49) MAPK8MAPTMAPK1TSHRALDH1A1
SCHEMBL19699567 0.80 ALDH1A1 (0.39) PRKD3MAPK8MAPK9MAPTGSK3B
SCHEMBL19699568 0.80 ALDH1A1 (0.39) PRKD3MAPK8MAPK9MAPTGSK3B
SCHEMBL19728690 0.79 ALDH1A1 (0.37) PRKD3MAPK8MAPK9MAPTGSK3B

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 3 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
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 (2 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 PRKD3 2241/4885MAPK8 1686/4885MAPK9 1347/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRKD3 2314/4885MAPK8 1815/4885MAPK9 1414/4885

“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.