SCHEMBL20733290

SCHEMBL20733290

CC(=O)Nc1cnc(OCCCC(C)C(=O)Nc2cncc(OC(C)C)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACACA Q13085 4/20 0.35
CHEK1 O14757 1/20 0.34
MAPK8 P45983 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ADORA3 P0DMS8 5/20 0.32
ADORA2A P29274 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
PIM1 P11309 1/20 0.32
MAPK9 P45984 1/20 0.31
ADORA1 P30542 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL17778481 0.80 MAPK8 (0.43) ACACBL3MBTL1CHEK1MAPK8KDM4E
SCHEMBL19699558 0.73 CHEK1 (0.41) CHEK1KDM4EADORA3ADORA2ALPAR1
SCHEMBL19706540 0.71 MAPK8 (0.44) L3MBTL1MAPK8KDM4EHSP90AA1HSP90AB1
SCHEMBL19706526 0.70 MAPK8 (0.46) L3MBTL1MAPK8KDM4EHSP90AA1HSP90AB1
SCHEMBL17776544 0.70 MAPK8 (0.39) L3MBTL1CHEK1MAPK8KDM4EHSP90AA1
SCHEMBL17778558 0.69 CHEK1 (0.40) ACACBMAPK1CHEK1ADORA3ADORA2A
SCHEMBL19699593 0.68 ADORA3 (0.37) CHEK1MAPK8ADORA3ADORA2AMAPK9
SCHEMBL19706551 0.67 MAPK8 (0.63) L3MBTL1MAPK8KDM4EHSP90AA1HSP90AB1
SCHEMBL19699607 0.67 ADORA3 (0.40) CHEK1MAPK8ADORA3ADORA2AMAPK9
SCHEMBL17776548 0.66 MAPK8 (0.58) ACACBL3MBTL1MAPK8KDM4EHSP90AA1

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ACACB 306/4885MAPK1 1369/4885L3MBTL1 3276/4885

“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.