SCHEMBL13609286

SCHEMBL13609286

CCC(CC)C(=O)NCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
QPCT Q16769 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL13609136 0.91 GAA (0.61) GAATSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL14271650 0.87 ALDH1A1 (0.50) GAAALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL10311722 0.84 QPCT (0.50) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL291623 0.83 USP2 (0.59) GAAUSP2NPC1SMN1; SMN2MEN1
SCHEMBL3706925 0.82 QPCT (0.43) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10448593 0.82 QPCT (0.43) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15014468 0.80 KDM4E (0.55) GAAALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4399230 0.79 ALDH1A1 (0.54) ALDH1A1NPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL3051649 0.77 EGLN3 (0.59) ALDH1A1NPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL12424659 0.77 MEN1 (0.57) GAAALDH1A1NPC1SMN1; SMN2MEN1

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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 GAA 3851/4885USP2 3462/4885TSHR 3979/4885

“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.