SCHEMBL13609136

SCHEMBL13609136

CCC(CC)C(=O)NCCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
QPCT Q16769 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.56
NAMPT P43490 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.54
CYP19A1 P11511 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL13609286 0.91 GAA (0.52) GAANPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL291623 0.91 USP2 (0.59) GAANPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL13416049 0.85 QPCT (0.62) NPC1SMN1; SMN2QPCTL3MBTL1MEN1
SCHEMBL13472650 0.81 KDM4E (0.67) GAANPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL49130 0.80 L3MBTL1 (0.66) NPC1SMN1; SMN2QPCTL3MBTL1ALDH1A1
SCHEMBL13655177 0.80 SMN1; SMN2 (0.72) GAANPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL18544251 0.80 L3MBTL1 (0.69) NPC1SMN1; SMN2QPCTL3MBTL1MEN1
SCHEMBL18568234 0.79 QPCT (0.65) GAANPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL31283170 0.79 TLR2 (0.56) GAANPC1SMN1; SMN2QPCTL3MBTL1
SCHEMBL18317579 0.79 L3MBTL1 (0.68) NPC1SMN1; SMN2QPCTL3MBTL1MEN1

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 3851/4885NPC1 2555/4885SMN1; SMN2 2036/4885

“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.