SCHEMBL4497059

SCHEMBL4497059

CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HSP90AA1 P07900 1/20 0.68
HPGD P15428 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.64
VCAM1 P19320 2/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 4/20 0.60
MAPK1 P28482 3/20 0.60
TP53 P04637 1/20 0.60
LMNA P02545 3/20 0.59
GAA P10253 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58

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
Chlorobenzene SCHEMBL27787825 0.92 SMN1; SMN2 (0.67) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL7491797 0.89 ALDH1A1 (0.73) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL3406144 0.86 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL7981162 0.85 MAPT (0.79) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL10541320 0.84 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL2343009 0.84 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL3116351 0.84 ALDH1A1 (0.50) ALDH1A1HSP90AA1HPGDSMN1; SMN2MEN1
SCHEMBL22382437 0.83 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL8947257 0.83 ALDH1A1 (0.66) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1
SCHEMBL7973732 0.83 VCAM1 (0.68) ALDH1A1HSP90AA1HPGDSMN1; SMN2VCAM1

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 22 patents — showing the first 20. 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-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-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
EP-1585511-B1 ASTHMA AND ALLERGIC INFLAMMATION MODULATORS AMGEN INC (US) 2013-01-23 EP disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
US-7321001-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2008-01-22 US disclosed
CN-1767823-A Asthma and allergic inflammation modulators AMGEN INC (US) 2006-05-03 CN disclosed
US-20040220237-A1 Asthma and allergic inflammation modulators AMGEN INC. 2004-11-04 US 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 (8 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-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 ALDH1A1 763/4885HSP90AA1 1542/4885HPGD 531/4885
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALDH1A1 1311/4885HSP90AA1 1196/4885HPGD 776/4885
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 ALDH1A1 897/4885HSP90AA1 1100/4885HPGD 516/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALDH1A1 1311/4885HSP90AA1 1196/4885HPGD 776/4885
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALDH1A1 1311/4885HSP90AA1 1196/4885HPGD 776/4885
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALDH1A1 905/4885HSP90AA1 1171/4885HPGD 510/4885
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALDH1A1 1311/4885HSP90AA1 1196/4885HPGD 776/4885
US-20040220237-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 ALDH1A1 763/4885HSP90AA1 1542/4885HPGD 531/4885

“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.