SCHEMBL2605586

SCHEMBL2605586

CCOC(=O)c1cc2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c12)OCO4

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
DPP4 P27487 7/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 2/20 0.40
CLK1 P49759 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 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
SCHEMBL2601755 0.87 ALDH1A1 (0.45) ALDH1A1LMNANPSR1HTTKDM4E
SCHEMBL2601754 0.87 ALDH1A1 (0.45) ALDH1A1LMNANPSR1HTTKDM4E
SCHEMBL2601756 0.86 ALDH1A1 (0.44) ALDH1A1LMNANPSR1HTTKDM4E
SCHEMBL2605617 0.84 DPP4 (0.49) ALDH1A1LMNANPSR1HTTDPP4
SCHEMBL2601747 0.80 RAD52 (0.42) ALDH1A1LMNANPSR1HTTDPP4
SCHEMBL2129981 0.78 SLC6A5 (0.38) ALDH1A1LMNANPSR1HTTPDGFRB
SCHEMBL13017868 0.77 LMNA (0.47) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL2130106 0.77 ALDH1A1 (0.36) ALDH1A1LMNANPSR1HTTDPP4
SCHEMBL20799490 0.76 LMNA (0.60) ALDH1A1LMNANPSR1HTTKDM4E
SCHEMBL1726191 0.76 TDP1 (0.37) ALDH1A1LMNANPSR1HTTDPP4

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 12 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-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-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 ALDH1A1 1190/4885LMNA 1016/4885NPSR1 4390/4885
US-20070225289-A1 Topoisomerase-targeting agents TOP1, TOP2A, TOP2B ALDH1A1 3411/4885LMNA 837/4885NPSR1 3739/4885
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885LMNA 1016/4885NPSR1 4390/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885LMNA 1016/4885NPSR1 4390/4885
US-20090258890-A1 TOPOISOMERASE-TARGETING AGENTS TOP1, TOP2A, TOP2B ALDH1A1 3338/4885LMNA 864/4885NPSR1 3803/4885

“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.