SCHEMBL2523027

SCHEMBL2523027

NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
CASP6 P55212 1/20 0.51
PTPN11 Q06124 1/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ADRA2C P18825 1/20 0.43
ROCK2 O75116 1/20 0.43
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7929918 0.86 KDM4E (0.55) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2521606 0.84 SMN1; SMN2 (0.53) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2231079 0.84 KDM4E (0.57) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2353928 0.80 KDM4E (0.58) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL11729407 0.80 KDM4E (0.49) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2228797 0.79 KDM4E (0.61) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL27819764 0.77 EP300 (0.55) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL11739119 0.77 KMT2A (0.47) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2229397 0.76 KDM4E (0.55) KDM4EPOLBMEN1KMT2ARAB9A
SCHEMBL2229180 0.74 ALDH1A1 (0.57) KDM4EPOLBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062787-A1 BIOLUMINESCENCE IMAGING OF MYELOPEROXIDASE ACTIVITY IN VIVO, METHODS, COMPOSITIONS AND APPARATUSES THEREFOR WASHINGTON UNIVERSITY (US) 2010-06-03 WO claimed
US-20210386874-A1 COMPOSITIONS AND METHODS FOR MEASURING OXIDATIVE STRESS WASHINGTON UNIVERSITY (US) 2021-12-16 US disclosed
US-8652442-B2 Bioluminescence imaging of myeloperoxidase activity in vivo, methods, compositions and apparatuses therefor WASHINGTON UNIVERSITY (US) 2014-02-18 US disclosed
US-8652442-B2 Bioluminescence imaging of myeloperoxidase activity in vivo, methods, compositions and apparatuses therefor WASHINGTON UNIVERSITY (US) 2014-02-18 US disclosed
US-8652442-B2 Bioluminescence imaging of myeloperoxidase activity in vivo, methods, compositions and apparatuses therefor WASHINGTON UNIVERSITY (US) 2014-02-18 US disclosed
US-20110250145-A1 BIOLUMINESCENCE IMAGING OF MYELOPEROXIDASE ACTIVITY IN VIVO, METHODS, COMPOSITIONS AND APPARATUSES THEREFOR WASHINGTON UNIVERSITY (US) 2011-10-13 US disclosed
US-20110250145-A1 BIOLUMINESCENCE IMAGING OF MYELOPEROXIDASE ACTIVITY IN VIVO, METHODS, COMPOSITIONS AND APPARATUSES THEREFOR WASHINGTON UNIVERSITY (US) 2011-10-13 US disclosed
US-20110250145-A1 BIOLUMINESCENCE IMAGING OF MYELOPEROXIDASE ACTIVITY IN VIVO, METHODS, COMPOSITIONS AND APPARATUSES THEREFOR WASHINGTON UNIVERSITY (US) 2011-10-13 US disclosed
WO-2010062787-A1 BIOLUMINESCENCE IMAGING OF MYELOPEROXIDASE ACTIVITY IN VIVO, METHODS, COMPOSITIONS AND APPARATUSES THEREFOR WASHINGTON UNIVERSITY (US) 2010-06-03 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 (2 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-20110250145-A1 BIOLUMINESCENCE IMAGING OF MYELOPEROXIDASE ACTIVITY IN VIVO, METHODS, COMPOSITIONS AND APPARATUSES THEREFOR MPO, GPX1, MMP8 KDM4E 4697/4885POLB 688/4885MEN1 1895/4885
US-20210386874-A1 COMPOSITIONS AND METHODS FOR MEASURING OXIDATIVE STRESS MPO, GPX4, GPX1 KDM4E 4866/4885POLB 1134/4885MEN1 1845/4885

“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.