SCHEMBL15319909

SCHEMBL15319909

CCOC(=O)c1ccc(Nc2ccccc2)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.65
KDM4E B2RXH2 4/20 0.65
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.65
THRB P10828 2/20 0.65
HPGD P15428 2/20 0.65
HSD17B10 Q99714 2/20 0.65
PTGER4 P35408 3/20 0.62
CDC25B P30305 5/20 0.59
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 2/20 0.57
GFER P55789 2/20 0.57
ATM Q13315 1/20 0.54
GLA P06280 1/20 0.53
RCE1 Q9Y256 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL14306866 0.88 PTGER4 (0.60) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL19245018 0.86 CDC25B (0.57) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL4002584 0.86 GAA (0.72) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL4931837 0.86 PTGER4 (0.58) GAAKDM4EMAPTTHRBPTGER4
SCHEMBL28160774 0.86 PTGER4 (0.59) GAAKDM4EMAPTPTGER4CDC25B
SCHEMBL2653262 0.85 CDC25B (0.58) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL9683164 0.85 GAA (0.70) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL2255472 0.83 MAPK13 (0.60) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL12136818 0.83 CDC25B (0.80) KDM4EMAPTALDH1A1THRBHPGD
SCHEMBL9176722 0.82 SMN1; SMN2 (0.72) GAAKDM4EMAPTALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 US disclosed
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 US disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 EP disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 EP disclosed
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 EP disclosed
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 EP 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-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-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-09-26 US disclosed
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-09-26 US disclosed
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-10-13 US disclosed
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-10-13 US disclosed
EP-3076962-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2016-10-12 EP disclosed
WO-2015084749-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-06-11 WO disclosed
WO-2015084749-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-06-11 WO 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 GAA 685/4885KDM4E 3002/4885MAPT 88/4885
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 GAA 634/4885KDM4E 3142/4885MAPT 157/4885
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 GAA 693/4885KDM4E 3174/4885MAPT 171/4885
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 GAA 693/4885KDM4E 3174/4885MAPT 171/4885
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 GAA 693/4885KDM4E 3174/4885MAPT 171/4885

“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.