SCHEMBL13620693

SCHEMBL13620693

CCC(C)(C)CCCNc1cc(OC)cc2c(C)ccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.66
CASP6 P55212 2/20 0.66
RAD52 P43351 2/20 0.57
CASP7 P55210 1/20 0.57
HSP90AA1 P07900 8/20 0.50
HSP90AB1 P08238 8/20 0.50
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTR1A P08908 4/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP2 O95551 1/20 0.41
FGB P02675 1/20 0.41

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
SCHEMBL14514560 0.90 NSD2 (0.70) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL13608928 0.88 NSD2 (0.67) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL4973244 0.84 NSD2 (0.62) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL10731810 0.81 NSD2 (0.71) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL10731681 0.81 NSD2 (0.71) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL8902067 0.81 NSD2 (0.70) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL4726902 0.81 NSD2 (0.70) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL13609321 0.80 NSD2 (0.58) NSD2CASP6RAD52CASP7HSP90AA1
Hydrochloric Acid SCHEMBL11541621 0.80 NSD2 (0.69) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL14424700 0.79 NSD2 (0.65) NSD2CASP6RAD52CASP7HSP90AA1

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 NSD2 2284/4885CASP6 149/4885RAD52 648/4885

“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.