SCHEMBL5916627

SCHEMBL5916627

O=c1c2ccccc2[se]n1-c1c([N+](=O)[O-])ccc2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ METAP2 P50579 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ QSOX1 O00391 1/20 0.43
▸ RGS12 O14924 1/20 0.43
▸ PMM2 O15305 1/20 0.43

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
SCHEMBL10749232 0.87 CYP1A2 (0.48) CYP1A2TSHRNCOA1NCOA3POLB
SCHEMBL5916849 0.80 LMNA (0.48) CYP1A2POLBMETAP2KDM4EALDH1A1
SCHEMBL5916555 0.73 METAP2 (0.56) POLBMETAP2KDM4EALDH1A1LMNA
SCHEMBL10501626 0.72 METAP2 (0.59) POLBMETAP2KDM4EALDH1A1LMNA
SCHEMBL5916782 0.70 METAP2 (0.61) POLBMETAP2KDM4EALDH1A1LMNA
SCHEMBL5916777 0.70 PIN1 (0.46) POLBMETAP2KDM4EALDH1A1LMNA
SCHEMBL10501892 0.70 METAP2 (0.66) POLBMETAP2KDM4EALDH1A1LMNA
SCHEMBL5916836 0.69 METAP2 (0.49) POLBMETAP2KDM4EALDH1A1LMNA
SCHEMBL10502218 0.69 CYP1A2 (0.47) CYP1A2NCOA1NCOA3POLBMETAP2
SCHEMBL5916901 0.69 METAP2 (0.54) POLBMETAP2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135569-A1 Use of benzisoselenazolone compounds against ischemic myocardial damage INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2006-06-22 — — US claimed
EP-1541145-A1 THE USE OF BENZISOSELENAZOLONE COMPOUNDS AGAINST ISCHEMIC MYOCARDIAL DAMAGE Institute of Materia, Chinese Academy of Medical Sciences (CN) 2005-06-15 — — EP claimed
US-20060135569-A1 Use of benzisoselenazolone compounds against ischemic myocardial damage INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2006-06-22 — — US disclosed
EP-1541145-A1 THE USE OF BENZISOSELENAZOLONE COMPOUNDS AGAINST ISCHEMIC MYOCARDIAL DAMAGE Institute of Materia, Chinese Academy of Medical Sciences (CN) 2005-06-15 — — EP disclosed
US-4711961-A Benzisoselenazolethiones and process for the treatment of various diseases in humans A. NATTERMANN & CIE GMBH (DE) 1987-12-08 — — US disclosed
US-4550168-A Benzisoselenazolones and a process for the treatment of inflammatory diseases A. NATTERMANN & CIE GMBH (DE) 1985-10-29 — — US disclosed
EP-0154851-A1 Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-18 — — EP disclosed
EP-0100899-A2 Benzisoselenazolones, process for their preparation and pharmaceutical compositions containing them A. Nattermann & Cie. GmbH (DE) 1984-02-22 — — EP 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-20060135569-A1 Use of benzisoselenazolone compounds against ischemic myocardial damage TNNI3, TNNT2, MYLK2 CYP1A2 569/4885TSHR 4537/4885NCOA1 1566/4885

“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.

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