SCHEMBL19240286

SCHEMBL19240286

CCC(O)Cn1c(=O)n(CC(O)CN2CCNCC2)c(=O)n(CC(O)CN2CCNCC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.50
IDO1 P14902 1/20 0.48
BAX Q07812 2/20 0.47
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SLC18A3 Q16572 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 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
SCHEMBL17084302 0.93 RAD52 (0.45) RAD52IDO1BAXTP53CYP3A4
SCHEMBL12402904 0.92 RAD52 (0.56) RAD52IDO1BAXTP53CYP3A4
SCHEMBL2800007 0.85 SMN1; SMN2 (0.58) RAD52IDO1BAXTP53CYP3A4
SCHEMBL24319375 0.85 SMN1; SMN2 (0.58) RAD52IDO1BAXTP53CYP3A4
SCHEMBL17934826 0.85 SMN1; SMN2 (0.58) RAD52IDO1BAXTP53CYP3A4
SCHEMBL17084303 0.80 POLB (0.41) RAD52IDO1BAXTP53CYP3A4
SCHEMBL3356828 0.79 CSNK2A1 (0.39) SLC18A3
SCHEMBL21250355 0.77 RAD52 (0.41) RAD52IDO1BAXTP53CYP3A4
SCHEMBL18661602 0.77 RAD52 (0.41) RAD52IDO1BAXTP53CYP3A4
SCHEMBL11438133 0.77 SMN1; SMN2 (0.60) RAD52IDO1BAXTP53CYP3A4

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-20170233598-A1 TRAFFIC MARKING COMPOSITIONS CONTAINING POLYFUNCTIONAL AMINES ENNIS-FLINT, INC. 2017-08-17 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 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-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP RAD52 2728/4885IDO1 456/4885BAX 1081/4885

“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.