SCHEMBL6001021

SCHEMBL6001021

O=C(c1ccccc1)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
STAT3 P40763 4/20 0.69
KMT2A Q03164 8/20 0.51
MAPT P10636 8/20 0.51
HTT P42858 8/20 0.51
MEN1 O00255 7/20 0.51
LMNA P02545 7/20 0.51
NPSR1 Q6W5P4 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HKDC1 Q2TB90 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
NPC1 O15118 3/20 0.51
CASP3 P42574 3/20 0.51
SENP8 Q96LD8 3/20 0.51
SENP7 Q9BQF6 3/20 0.51
SENP6 Q9GZR1 3/20 0.51
HPGD P15428 3/20 0.51
THRB P10828 3/20 0.51
ATM Q13315 3/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL12640066 0.87 ALDH1A1 (0.54) ALDH1A1STAT3KMT2AMAPTHTT
SCHEMBL12640065 0.87 STAT3 (0.54) ALDH1A1STAT3KMT2AMAPTHTT
SCHEMBL12640096 0.86 STAT3 (0.58) ALDH1A1STAT3KMT2AMAPTHTT
SCHEMBL12640087 0.85 STAT3 (0.75) ALDH1A1STAT3KMT2AMAPTHTT
SCHEMBL10037451 0.84 STAT3 (0.71) ALDH1A1STAT3KMT2AMAPTHTT
Napabucasin SCHEMBL1883845 0.81 STAT3 (1.00) ALDH1A1STAT3KMT2AMAPTHTT
Napabucasin SCHEMBL29349770 0.81 STAT3 (1.00) ALDH1A1STAT3KMT2AMAPTHTT
SCHEMBL6001071 0.81 STAT3 (0.59) ALDH1A1STAT3MAPTHTTLMNA
SCHEMBL12640086 0.80 STAT3 (0.73) ALDH1A1STAT3KMT2AMAPTHTT
SCHEMBL18691843 0.80 STAT3 (0.73) ALDH1A1STAT3KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-01 US disclosed
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. 2019-08-29 US disclosed
EP-3058941-B1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2019-05-22 EP disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 US disclosed
US-8877803-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2014-11-04 US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US disclosed
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 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 (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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 ALDH1A1 1710/4885STAT3 572/4885KMT2A 3391/4885
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B ALDH1A1 630/4885STAT3 1/4885KMT2A 1673/4885
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 ALDH1A1 677/4885STAT3 1/4885KMT2A 1706/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 ALDH1A1 545/4885STAT3 1/4885KMT2A 1555/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B ALDH1A1 630/4885STAT3 1/4885KMT2A 1673/4885

“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.