SCHEMBL21774731

SCHEMBL21774731

CCN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.67
▸ CASP3 P42574 2/20 0.67
▸ CASP4 P49662 2/20 0.67
▸ CASP7 P55210 2/20 0.67
▸ CASP9 P55211 2/20 0.67
▸ CASP6 P55212 2/20 0.67
▸ CASP8 Q14790 1/20 0.67
▸ PARK7 Q99497 1/20 0.59
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ KDM1A O60341 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PTPRC P08575 3/20 0.49
▸ S100A4 P26447 2/20 0.49
▸ ACHE P22303 3/20 0.48
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL3651922 0.88 CASP3 (0.67) CASP1CASP3CASP4CASP7CASP9
SCHEMBL11570788 0.86 CASP3 (0.63) CASP1CASP3CASP4CASP7CASP9
SCHEMBL4625604 0.85 CASP3 (0.67) CASP1CASP3CASP4CASP7CASP9
SCHEMBL9393227 0.85 ALOX5 (0.55) CASP1CASP3CASP4CASP7CASP9
SCHEMBL19032878 0.85 CASP3 (0.62) CASP1CASP3CASP4CASP7CASP9
SCHEMBL21774745 0.82 CASP1 (0.62) CASP1CASP3CASP4CASP7CASP9
SCHEMBL26621576 0.81 CASP3 (0.62) CASP1CASP3CASP4CASP7CASP9
SCHEMBL4625557 0.81 CASP3 (0.62) CASP1CASP3CASP4CASP7CASP9
SCHEMBL1217303 0.81 CASP3 (0.77) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8019337 0.80 CASP3 (1.00) CASP1CASP3CASP4CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 — — US disclosed
EP-3555063-B1 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 — — EP disclosed
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 — — US disclosed
CN-104829608-B A kind of cumarin thiazole indolone type compound and its preparation method and purposes 吉首大学 2017-06-30 — — CN disclosed
CN-104829608-A Coumarin-thiazole-indolone compounds, and preparation method and application thereof UNIV JISHOU 2015-08-12 — — CN 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-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BCL6, BCL6B, BCOR CASP1 495/4885CASP3 251/4885CASP4 798/4885
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BCL6, BCL6B, BCOR CASP1 649/4885CASP3 278/4885CASP4 980/4885

“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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