SCHEMBL13723992

SCHEMBL13723992

COc1ccc2[nH]c(C)c(C=CC(=O)c3ccncc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 1/20 1.00
MEN1 O00255 4/20 0.67
MAPT P10636 4/20 0.67
KMT2A Q03164 4/20 0.67
PSMD14 O00487 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CYP1A1 P04798 6/20 0.55
CYP1A2 P05177 6/20 0.55
CYP2D6 P10635 6/20 0.55
CYP1B1 Q16678 6/20 0.55
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C8 P10632 1/20 0.46
AKR1C2 P52895 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
ACHE P22303 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 2/20 0.44

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
SCHEMBL13723990 1.00 PIKFYVE (1.00) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL30090615 1.00 PIKFYVE (1.00) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL30591068 1.00 PIKFYVE (1.00) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL16756032 0.89 PIKFYVE (0.80) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL16756035 0.89 PIKFYVE (0.80) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL16200790 0.88 PIKFYVE (0.79) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL16756030 0.88 PIKFYVE (0.78) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL16756028 0.88 PIKFYVE (0.78) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL15902413 0.87 PIKFYVE (0.77) PIKFYVEMEN1MAPTKMT2APSMD14
SCHEMBL15902411 0.87 PIKFYVE (0.77) PIKFYVEMEN1MAPTKMT2APSMD14

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
CN-117731689-A Application of MOMIPP combined with LPS in preparation of pharmaceutical preparation for inducing immune cell death 山东大学 2024-03-22 CN disclosed
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
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 PIKFYVE 543/4885MEN1 1465/4885MAPT 2529/4885
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof BECN1, BAD, BAX PIKFYVE 543/4885MEN1 1465/4885MAPT 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 PIKFYVE 2188/4885MEN1 1198/4885MAPT 4340/4885
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis MCL1, BAX, BCL2 PIKFYVE 1846/4885MEN1 2167/4885MAPT 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.