SCHEMBL1122540

SCHEMBL1122540

CC(=C=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ CA12 O43570 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ LPAR3 Q9UBY5 1/20 0.48
▸ RPS6KA2 Q15349 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.46

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
SCHEMBL12731847 0.85 KDM4E (0.58) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL4234480 0.80 LPAR3 (0.69) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7504758 0.79 ALOX5 (0.57) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL14876485 0.78 ALOX5 (0.56) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL28639253 0.78 ALOX5 (0.62) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL6207633 0.78 ALOX5 (0.62) ALOX5KDM4EALDH1A1L3MBTL1ACHE
SCHEMBL30070354 0.78 ALOX5 (0.62) ALOX5KDM4EALDH1A1L3MBTL1ACHE
SCHEMBL20439185 0.76 ALOX5 (0.51) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL522710 0.76 PIN1 (0.62) ALOX5KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3586091 0.76 POLB (0.62) ALOX5KDM4EALDH1A1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640367-B1 ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2011-02-09 — — EP disclosed
US-7683073-B2 Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-03-23 — — US disclosed
US-20060135557-A1 Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES 2006-06-22 — — US disclosed
EP-1640367-A1 ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2006-03-29 — — 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-20060135557-A1 Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof APP, PSEN1, AIFM1 ALOX5 552/4885KDM4E 4438/4885ALDH1A1 2993/4885

“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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