SCHEMBL2130106

SCHEMBL2130106

COc1cc2cc(C(=O)NCCC(C)(C)N(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 5/20 0.36
PKM P14618 2/20 0.36
USP2 O75604 1/20 0.35
PDE10A Q9Y233 1/20 0.35
DPP4 P27487 2/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
HPGD P15428 1/20 0.34
AURKA O14965 2/20 0.34
LCK P06239 2/20 0.34
KDR P35968 2/20 0.34
TEK Q02763 2/20 0.34

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
SCHEMBL1726191 0.95 TDP1 (0.37) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL2129981 0.92 SLC6A5 (0.38) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL14237587 0.89 TDP1 (0.36) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL2601747 0.88 RAD52 (0.42) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL1725627 0.86 USP2 (0.39) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL14237632 0.84 TDP1 (0.37) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL2130154 0.82 TDP1 (0.39) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL14237643 0.82 TDP1 (0.37) ALDH1A1LMNAHTTNPSR1TDP1
SCHEMBL2601755 0.79 ALDH1A1 (0.45) ALDH1A1LMNAHTTNPSR1PDE1A
SCHEMBL2601754 0.79 ALDH1A1 (0.45) ALDH1A1LMNAHTTNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US claimed
EP-2403856-B1 METHYLENEDIOXYBENZO [I]PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER UNIV RUTGERS (US) 2012-12-19 EP claimed
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 US claimed
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-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-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-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US disclosed
EP-2403856-B1 METHYLENEDIOXYBENZO [I]PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER UNIV RUTGERS (US) 2012-12-19 EP disclosed
EP-2403856-B1 METHYLENEDIOXYBENZO [I]PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER UNIV RUTGERS (US) 2012-12-19 EP 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-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 1190/4885LMNA 1016/4885HTT 1894/4885
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885LMNA 1016/4885HTT 1894/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885LMNA 1016/4885HTT 1894/4885

“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.