SCHEMBL412289

SCHEMBL412289

COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46

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
Hydrochloric Acid SCHEMBL412059 0.99 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL411117 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2
SCHEMBL412051 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL413283 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL10189581 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2
SCHEMBL10241455 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL411990 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL410351 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL13040943 0.83 FLT3 (0.54) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL406868 0.83 PTGS1 (0.57) ALDH1A1SMN1; SMN2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017559-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-20 US disclosed
US-20220017559-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-20 US disclosed
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-25 US disclosed
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-25 US disclosed
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-08 US disclosed
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-08 US disclosed
US-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-26 US disclosed
US-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-26 US disclosed
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-19 US disclosed
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-19 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1919881-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-05-14 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
WO-2007014198-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 WO disclosed
WO-2007014198-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 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 (7 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 ALDH1A1 1872/4885SMN1; SMN2 3188/4885TUBB4A 18/4885
US-10662215-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 ALDH1A1 135/4885SMN1; SMN2 991/4885TUBB4A 2116/4885
US-11014955-B2 Cyclic peroxides as prodrugs for selective delivery of agents GPX4, PRDX1, PRDX3 ALDH1A1 135/4885SMN1; SMN2 991/4885TUBB4A 2116/4885
US-20190284224-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 ALDH1A1 135/4885SMN1; SMN2 991/4885TUBB4A 2116/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK ALDH1A1 414/4885SMN1; SMN2 4855/4885TUBB4A 56/4885
US-20220017559-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, PRDX3 ALDH1A1 135/4885SMN1; SMN2 991/4885TUBB4A 2116/4885
US-20200317714-A1 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS GPX4, PRDX1, GPX1 ALDH1A1 256/4885SMN1; SMN2 1026/4885TUBB4A 2624/4885

“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.