SCHEMBL2601747

SCHEMBL2601747

COc1cc2cc(C(=O)NCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.42
UHRF1 Q96T88 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
SMARCA2 P51531 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
AXL P30530 1/20 0.37
PTK2 Q05397 1/20 0.37
FYN P06241 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
USP2 O75604 1/20 0.37
PDPK1 O15530 1/20 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
SCHEMBL2130106 0.88 ALDH1A1 (0.36) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL1726191 0.87 TDP1 (0.37) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2129981 0.86 SLC6A5 (0.38) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2601748 0.85 TDP1 (0.44) RAD52UHRF1TDP1SMARCA2ALDH1A1
SCHEMBL2601754 0.82 ALDH1A1 (0.45) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2601755 0.82 ALDH1A1 (0.45) ALDH1A1LMNAHTTNPSR1KMT2A
SCHEMBL2601756 0.81 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL2605586 0.80 ALDH1A1 (0.44) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL14237587 0.76 TDP1 (0.36) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL14237643 0.76 TDP1 (0.37) TDP1ALDH1A1LMNAHTTNPSR1

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 15 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
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-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 RAD52 630/4885UHRF1 999/4885TDP1 18/4885
US-20070225289-A1 Topoisomerase-targeting agents TOP1, TOP2A, TOP2B RAD52 142/4885UHRF1 1305/4885TDP1 8/4885
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A RAD52 630/4885UHRF1 999/4885TDP1 18/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A RAD52 630/4885UHRF1 999/4885TDP1 18/4885
US-20090258890-A1 TOPOISOMERASE-TARGETING AGENTS TOP1, TOP2A, TOP2B RAD52 129/4885UHRF1 1402/4885TDP1 8/4885

“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.