SCHEMBL2601751

SCHEMBL2601751

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 3/20 0.40
ERBB2 P04626 1/20 0.40
NUDT1 P36639 2/20 0.39
TP53 P04637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2601750 0.91 ALDH1A1 (0.48) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL2601749 0.89 ALDH1A1 (0.47) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL2605617 0.85 DPP4 (0.49) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL2601755 0.82 ALDH1A1 (0.45) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL2601748 0.81 TDP1 (0.44) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL1723606 0.81 ALDH1A1 (0.41) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL14522319 0.81 DPP4 (0.43) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL1724918 0.79 SLC6A5 (0.41) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL1725627 0.78 USP2 (0.39) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL19705382 0.78 HTT (0.40) ALDH1A1HTTLMNANPSR1MEN1

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 10 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
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
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 1190/4885HTT 1894/4885LMNA 1016/4885
US-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885HTT 1894/4885LMNA 1016/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885HTT 1894/4885LMNA 1016/4885

“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.