SCHEMBL2601748

SCHEMBL2601748

COc1cc2c(C(=O)NCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
RAD52 P43351 2/20 0.43
UHRF1 Q96T88 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SMARCA2 P51531 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41
AXL P30530 1/20 0.41
DPP4 P27487 2/20 0.40
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
KMT2A Q03164 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
FYN P06241 3/20 0.39

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
SCHEMBL1725627 0.87 USP2 (0.39) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL18425802 0.87 ALDH1A1 (0.39) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2130154 0.86 TDP1 (0.39) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2601747 0.85 RAD52 (0.42) TDP1RAD52UHRF1ALDH1A1LMNA
SCHEMBL1724918 0.85 SLC6A5 (0.41) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL1723606 0.83 ALDH1A1 (0.41) ALDH1A1LMNAHTTNPSR1USP2
SCHEMBL2601750 0.81 ALDH1A1 (0.48) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2601751 0.81 ALDH1A1 (0.51) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2601749 0.80 ALDH1A1 (0.47) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2605617 0.78 DPP4 (0.49) ALDH1A1LMNAHTTNPSR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179789-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-15 US disclosed
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-14 US disclosed
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-14 US disclosed
US-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US disclosed
US-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US disclosed
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 US disclosed
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 US disclosed
US-7858627-B2 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-12-28 US disclosed
US-7858627-B2 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-12-28 US disclosed
WO-2010102219-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-09-10 WO disclosed
US-20090258890-A1 TOPOISOMERASE-TARGETING AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-10-15 US disclosed
US-20090258890-A1 TOPOISOMERASE-TARGETING AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-10-15 US disclosed
US-7517867-B2 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
US-7517867-B2 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
US-20070225289-A1 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-09-27 US disclosed
US-20070225289-A1 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-09-27 US disclosed
US-7208492-B2 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-04-24 US disclosed
US-7208492-B2 Topoisomerase-targeting agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-04-24 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 (5 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-10179789-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer TOP2B, TOP1, TOP2A TDP1 18/4885RAD52 630/4885UHRF1 999/4885
US-20070225289-A1 Topoisomerase-targeting agents TOP1, TOP2A, TOP2B TDP1 8/4885RAD52 142/4885UHRF1 1305/4885
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A TDP1 18/4885RAD52 630/4885UHRF1 999/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A TDP1 18/4885RAD52 630/4885UHRF1 999/4885
US-20090258890-A1 TOPOISOMERASE-TARGETING AGENTS TOP1, TOP2A, TOP2B TDP1 8/4885RAD52 129/4885UHRF1 1402/4885

“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.