SCHEMBL2601749

SCHEMBL2601749

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ATM Q13315 1/20 0.37
NUDT1 P36639 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NPC1 O15118 1/20 0.36

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 0.92 ALDH1A1 (0.48) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL2601751 0.89 ALDH1A1 (0.51) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL2605617 0.84 DPP4 (0.49) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL2601756 0.82 ALDH1A1 (0.44) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL2601748 0.80 TDP1 (0.44) ALDH1A1HTTLMNANPSR1TDP1
SCHEMBL1723606 0.80 ALDH1A1 (0.41) ALDH1A1HTTLMNANPSR1HPGD
SCHEMBL14522319 0.80 DPP4 (0.43) ALDH1A1HTTLMNANPSR1TDP1
SCHEMBL19705382 0.79 HTT (0.40) ALDH1A1HTTLMNANPSR1SMN1; SMN2
SCHEMBL1724918 0.78 SLC6A5 (0.41) ALDH1A1HTTLMNANPSR1HPGD
SCHEMBL1725627 0.77 USP2 (0.39) ALDH1A1HTTLMNANPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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-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.