SCHEMBL13723474

SCHEMBL13723474

COc1ccc2[nH]cc(C=CC(=O)c3cccnc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
MEN1 O00255 2/20 0.76
NPC1 O15118 2/20 0.76
MAPT P10636 2/20 0.76
RAB9A P51151 2/20 0.76
KMT2A Q03164 2/20 0.76
CYP1A2 P05177 11/20 0.59
CYP1A1 P04798 10/20 0.59
CYP1B1 Q16678 10/20 0.59
CYP3A4 P08684 5/20 0.59
CYP2D6 P10635 5/20 0.59
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
KIF20A O95235 1/20 0.52
DYRK1A Q13627 1/20 0.52
CYP2C19 P33261 1/20 0.51
PIKFYVE Q9Y2I7 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL13723472 1.00 ALDH1A1 (0.76) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL30090600 1.00 ALDH1A1 (0.76) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL13724607 0.87 MEN1 (0.79) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL13724609 0.87 MEN1 (0.79) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL30090614 0.87 MEN1 (0.79) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL30090663 0.85 MEN1 (0.66) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL13723154 0.85 MEN1 (0.66) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL13727541 0.82 ALDH1A1 (0.73) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL13727538 0.82 ALDH1A1 (0.73) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL30090554 0.82 ALDH1A1 (0.73) ALDH1A1MEN1NPC1MAPTRAB9A

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 ALDH1A1 4456/4885MEN1 1465/4885NPC1 1360/4885
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof BECN1, BAD, BAX ALDH1A1 4456/4885MEN1 1465/4885NPC1 1360/4885
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 ALDH1A1 553/4885MEN1 1198/4885NPC1 4503/4885
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis MCL1, BAX, BCL2 ALDH1A1 2558/4885MEN1 2167/4885NPC1 2088/4885

“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.