SCHEMBL15319752

SCHEMBL15319752

CCOC(=O)c1ccc(NC2CC2)c(N)c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.88
PTGER4 P35408 3/20 0.69
GAA P10253 3/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
BRD4 O60885 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
RAB9A P51151 2/20 0.46
CDC25B P30305 2/20 0.44
KMT2A Q03164 1/20 0.44
PRMT1 Q99873 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 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
SCHEMBL15320258 0.95 ALOX15 (0.80) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15320656 0.95 ALOX15 (0.80) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL2028039 0.95 ALOX15 (0.80) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL2028037 0.95 ALOX15 (0.80) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15320854 0.95 ALOX15 (0.93) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15320802 0.95 ALOX15 (0.97) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL2032512 0.94 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15321351 0.94 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL15320214 0.94 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2
SCHEMBL31385531 0.94 ALOX15 (1.00) ALOX15PTGER4GAALMNACYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-24 US disclosed
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-24 US disclosed
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-05-09 US disclosed
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-05-09 US disclosed
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-03-19 US disclosed
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-03-19 US disclosed
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 US disclosed
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 US disclosed
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 US disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
WO-2013152039-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-10 WO disclosed
WO-2013152039-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-10 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 (5 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-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 93/4885PTGER4 1323/4885GAA 685/4885
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 ALOX15 86/4885PTGER4 1096/4885GAA 634/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885PTGER4 1323/4885GAA 685/4885
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 93/4885PTGER4 1323/4885GAA 685/4885
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885PTGER4 1323/4885GAA 685/4885

“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.