SCHEMBL7682586

SCHEMBL7682586

COc1c(N)c(N)c(N)c(-c2ccc(N)cc2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP19A1 P11511 5/20 0.41
NQO2 P16083 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
APP P05067 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FYN P06241 1/20 0.36
USP7 Q93009 1/20 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
SCHEMBL3788846 0.88 TDP1 (0.44) TDP1MAPK1CYP19A1NQO2ALDH1A1
SCHEMBL4847168 0.75 CYP3A4 (0.59) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL27880134 0.73 PDE4B (0.52) MAPK1ALDH1A1CYP3A4KDM4ENPC1
SCHEMBL1484214 0.72 TDP1 (0.36) TDP1MAPK1CYP19A1NQO2ALDH1A1
SCHEMBL24561 0.69 TDP1 (0.67) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL3841534 0.68 PDE4B (0.50) MAPK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL6020612 0.67 CYP3A4 (0.62) TDP1MAPK1ALDH1A1CYP3A4APP
Benzidine SCHEMBL28611518 0.67 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL14656326 0.67 ALDH1A1 (0.48) TDP1MAPK1CYP19A1ALDH1A1CYP3A4
SCHEMBL9489154 0.67 KDM4E (0.37) TDP1MAPK1CYP19A1NQO2ALDH1A1

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-20020082432-A1 New podophyllotoxin dimer as DNA topoisomerase II inhibitors, and a process for the preparation therefore COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2002-06-27 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-20020082432-A1 New podophyllotoxin dimer as DNA topoisomerase II inhibitors, and a process for the preparation therefore TOP2A, TOP2B, PCNA TDP1 65/4885MAPK1 3805/4885CYP19A1 2524/4885

“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.