SCHEMBL2521606

SCHEMBL2521606

O=C(CCl)Nc1cccc2c(=O)[nH][nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 12/20 0.51
LMNA P02545 5/20 0.51
HTT P42858 4/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
CASP6 P55212 1/20 0.51
PTPN11 Q06124 1/20 0.51
PKM P14618 2/20 0.48
PARP1 P09874 1/20 0.47
BLM P54132 2/20 0.43
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MAPT P10636 2/20 0.39
PAX8 Q06710 1/20 0.39

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) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL2523027 0.84 KDM4E (0.53) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL2231079 0.84 KDM4E (0.57) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL2353928 0.80 KDM4E (0.58) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL11729407 0.80 KDM4E (0.49) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL2228797 0.79 KDM4E (0.61) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL11739119 0.77 KMT2A (0.47) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL27819764 0.77 EP300 (0.55) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL2229397 0.76 KDM4E (0.55) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL2229187 0.76 ALDH1A1 (0.55) SMN1; SMN2KDM4EMEN1KMT2ARAB9A

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 11 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-6077461-A Cationic chemiluminescent monomers and polymers NALCO CHEMICAL COMPANY (US) 2000-06-20 US claimed
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
US-6077461-A Cationic chemiluminescent monomers and polymers NALCO CHEMICAL COMPANY (US) 2000-06-20 US disclosed
WO-2000018850-A1 CATIONIC CHEMILUMINESCENT MONOMERS AND POLYMERS NALCO CHEMICAL COMPANY (US) 2000-04-06 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 (1 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 SMN1; SMN2 3646/4885KDM4E 4697/4885MEN1 1895/4885

“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.