SCHEMBL13727992

SCHEMBL13727992

O=C(C=Cc1c[nH]c2ccc(O)cc12)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.65
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PFKFB3 Q16875 1/20 0.52
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL13727991 1.00 CHRNA7 (0.65) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL19530797 0.87 KMT2A (0.72) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL31510896 0.86 KMT2A (0.61) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL16756066 0.83 MAPT (0.50) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL16756068 0.83 MAPT (0.50) CHRNA7ALDH1A1MAPTKMT2AMEN1
SCHEMBL13724607 0.83 MEN1 (0.79) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13724609 0.83 MEN1 (0.79) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL30090614 0.83 MEN1 (0.79) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13723439 0.83 MAPT (0.79) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL30090669 0.83 MAPT (0.79) ALDH1A1MAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028796-B2 Materials and methods useful to induce cell death via methuosis THE UNIVERSITY OF TOLEDO (US) 2015-05-12 US claimed
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis THE UNIVERSITY OF TOLEDO (US) 2014-10-30 US claimed
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
WO-2019147893-A1 ANTHELMINTIC COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2019-08-01 WO disclosed
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-01-17 US disclosed
US-20170311599-A1 Target for Anthelmintic Development, and Anthelmintics Utilizing the Same THE UNIVERSITY OF TOLEDO (US) 2017-11-02 US disclosed
EP-3217970-A1 DIANHYDROGALACTITOL TOGETHER WITH RADIATION TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME Del Mar Pharmaceuticals (CA) 2017-09-20 EP disclosed
WO-2016077264-A1 DIANHYDROGALACTITOL TOGETHER WITH RADIATION TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME DEL MAR PHARMACEUTICALS (CA) 2016-05-19 WO disclosed
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 US disclosed
US-9028796-B2 Materials and methods useful to induce cell death via methuosis THE UNIVERSITY OF TOLEDO (US) 2015-05-12 US disclosed
US-9023871-B2 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-05-05 US disclosed
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis THE UNIVERSITY OF TOLEDO (US) 2014-10-30 US disclosed
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2014-07-31 US disclosed
WO-2012145069-A2 MATERIALS AND METHODS USEFUL TO INDUCE CELL DEATH VIA METHUOSIS THE UNIVERSITY OF TOLEDO (US) 2012-10-26 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-20170311599-A1 Target for Anthelmintic Development, and Anthelmintics Utilizing the Same HNMT, AADAC, TUBB6 CHRNA7 3022/4885ALDH1A1 721/4885MAPT 3731/4885
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX CHRNA7 4829/4885ALDH1A1 4456/4885MAPT 2529/4885
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof BECN1, BAD, BAX CHRNA7 4829/4885ALDH1A1 4456/4885MAPT 2529/4885
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS MGMT, DCLRE1A, DNMT1 CHRNA7 319/4885ALDH1A1 553/4885MAPT 4340/4885
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis MCL1, BAX, BCL2 CHRNA7 4857/4885ALDH1A1 2558/4885MAPT 3329/4885

“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.