SCHEMBL13609334

SCHEMBL13609334

CCC(CC)=NNC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
MAPT P10636 8/20 0.67
KDM4E B2RXH2 5/20 0.67
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GLA P06280 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 8/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
CASP3 P42574 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL6636895 0.84 KDM4E (0.67) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL1562150 0.84 KDM4E (0.67) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL1562152 0.84 KDM4E (0.67) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL2988292 0.82 GAA (0.63) ALDH1A1MAPTKDM4EKMT2AL3MBTL1
SCHEMBL12443287 0.79 GAA (0.84) ALDH1A1MAPTKDM4ERAB9AKMT2A
SCHEMBL27177999 0.79 SMN1; SMN2 (0.76) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL27178002 0.79 SMN1; SMN2 (0.76) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL1562144 0.79 NPC1 (0.72) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL6702680 0.78 SMN1; SMN2 (0.58) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL18988937 0.78 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ERAB9ANPC1

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 ALDH1A1 4123/4885MAPT 2021/4885KDM4E 2319/4885

“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.