SCHEMBL13723154

SCHEMBL13723154

COc1ccc2[nH]cc(/C=C/C(=O)c3cnccn3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
RAB9A P51151 4/20 0.66
MAPT P10636 4/20 0.66
ALDH1A1 P00352 2/20 0.66
NPC1 O15118 2/20 0.66
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CPT1A P50416 1/20 0.46
CHRNA7 P36544 1/20 0.45
PIKFYVE Q9Y2I7 1/20 0.44
NR4A2 P43354 1/20 0.44
DYRK1A Q13627 3/20 0.43
CLK1 P49759 2/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43

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
SCHEMBL30090663 1.00 MEN1 (0.66) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13723472 0.85 ALDH1A1 (0.76) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL30090600 0.85 ALDH1A1 (0.76) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13723474 0.85 ALDH1A1 (0.76) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13724609 0.82 MEN1 (0.79) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13724607 0.82 MEN1 (0.79) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL30090614 0.82 MEN1 (0.79) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21256051 0.79 KMT2A (0.77) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL3019510 0.77 MEN1 (0.70) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL3019508 0.77 MEN1 (0.70) MEN1KMT2ARAB9AMAPTALDH1A1

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-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
WO-2012145069-A2 MATERIALS AND METHODS USEFUL TO INDUCE CELL DEATH VIA METHUOSIS THE UNIVERSITY OF TOLEDO (US) 2012-10-26 WO 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
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
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 (4 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-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX MEN1 1465/4885KMT2A 3031/4885RAB9A 1669/4885
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof BECN1, BAD, BAX MEN1 1465/4885KMT2A 3031/4885RAB9A 1669/4885
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 MEN1 1198/4885KMT2A 1245/4885RAB9A 4287/4885
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis MCL1, BAX, BCL2 MEN1 2167/4885KMT2A 2128/4885RAB9A 2349/4885

“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.