SCHEMBL7679792

SCHEMBL7679792

COc1cc(-c2ccc(N)c(N)c2)c(OC)c(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TERT O14746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
RELA Q04206 1/20 0.39
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37

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
SCHEMBL29655073 0.77 MGAM (0.48) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL29655234 0.74 PTPRC (0.56) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL29655117 0.74 PTPRC (0.56) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL5953394 0.74 PTPRC (0.56) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL7679791 0.73 ALDH1A1 (0.47) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL28601470 0.72 FYN (0.47) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL7679797 0.72 TDP1 (0.37) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL30665721 0.72 NPC1 (0.45) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL29655181 0.71 CYP3A4 (0.64) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL29655054 0.70 TDP1 (0.47) TDP1ALDH1A1CYP3A4TSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441198-B1 USEFUL AS ANTITUMOUR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-08-27 US claimed
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 claimed

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 65/4885ALDH1A1 3688/4885CYP3A4 2013/4885

“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.