SCHEMBL15321069

SCHEMBL15321069

CCOC(=O)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 6/20 0.58
POLB P06746 3/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 1/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
PKM P14618 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HCAR3 P49019 3/20 0.50
HTT P42858 2/20 0.50
PTGER4 P35408 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 1/20 0.47
THRB P10828 2/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3353065 0.93 MAPT (0.51) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL15319957 0.92 MAPT (0.66) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL8070173 0.91 HCAR3 (0.55) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL4444325 0.91 HCAR3 (0.54) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL29848413 0.91 HCAR3 (0.54) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL3091619 0.89 ALDH1A1 (0.49) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL19245322 0.86 ALOX15 (0.52) MAPTALDH1A1POLBKMT2ARAB9A
SCHEMBL22382467 0.85 KMT2A (0.60) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL3094959 0.85 ALDH1A1 (0.55) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL15321361 0.85 HCAR3 (0.68) MAPTALDH1A1POLBLMNASMN1; 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 7 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-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-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-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

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 MAPT 88/4885ALDH1A1 1311/4885POLB 4782/4885
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 MAPT 157/4885ALDH1A1 897/4885POLB 4651/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 MAPT 88/4885ALDH1A1 1311/4885POLB 4782/4885
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 MAPT 88/4885ALDH1A1 1311/4885POLB 4782/4885
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 MAPT 88/4885ALDH1A1 1311/4885POLB 4782/4885

“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.