SCHEMBL13724461

SCHEMBL13724461

O=C(C=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GAA P10253 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
LTA4H P09960 2/20 0.49
PLA2G2A P14555 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
ACHE P22303 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL13724460 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL10501064 0.86 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL10501049 0.86 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7835457 0.83 MEN1 (0.64) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7835462 0.83 MEN1 (0.64) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL30090614 0.82 MEN1 (0.79) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL13724609 0.82 MEN1 (0.79) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL13724607 0.82 MEN1 (0.79) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL15325653 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL15323122 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2AMAPTNPC1

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 13 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
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 1465/4885KMT2A 3031/4885
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof BECN1, BAD, BAX ALDH1A1 4456/4885MEN1 1465/4885KMT2A 3031/4885
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 1198/4885KMT2A 1245/4885
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis MCL1, BAX, BCL2 ALDH1A1 2558/4885MEN1 2167/4885KMT2A 2128/4885

“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.