SCHEMBL16286604

SCHEMBL16286604

C=[N+]1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
KMT2A Q03164 4/20 0.45
CDC25B P30305 3/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
MAOA P21397 3/20 0.43
APAF1 O14727 3/20 0.43
BCHE P06276 3/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP2 O95551 2/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
S100A4 P26447 2/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL5423240 0.71 CDC25B (0.45) GSK3BKMT2ACDC25BMEN1POLB
SCHEMBL7993982 0.71 CDC25B (0.45) GSK3BKMT2ACDC25BMEN1POLB
SCHEMBL551515 0.71 MEN1 (0.45) GSK3BKMT2ACDC25BMEN1POLB
SCHEMBL7342245 0.70 CDC25B (0.39) GSK3BKMT2ACDC25BMEN1POLB
SCHEMBL10447642 0.65 KMT2A (0.39) GSK3BKMT2ACDC25BMEN1POLB
Anthraquinone SCHEMBL4283294 0.65 MEN1 (0.86) KMT2ACDC25BMEN1POLBKDM4E
Phthalimide SCHEMBL1627400 0.65 GSK3B (0.88) GSK3BKMT2ACDC25BMEN1POLB
Phthalimide SCHEMBL6342581 0.65 GSK3B (0.88) GSK3BKMT2ACDC25BMEN1POLB
Phthalimide SCHEMBL5970009 0.65 GSK3B (0.88) GSK3BKMT2ACDC25BMEN1POLB
Anthraquinone SCHEMBL1901249 0.63 MEN1 (1.00) KMT2ACDC25BMEN1POLBKDM4E

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
EP-2813502-B1 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPÉ FARM S P A (IT) 2017-01-04 EP claimed
US-9409876-B2 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPE' FARMACEUTICI S.P.A. (IT) 2016-08-09 US claimed
US-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' FARMACEUTICI S.P.A. (IT) 2014-12-18 US claimed
EP-2813502-A1 Bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe' S.p.A. (IT) 2014-12-17 EP claimed
EP-2813502-B1 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPÉ FARM S P A (IT) 2017-01-04 EP disclosed
US-9409876-B2 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPE' FARMACEUTICI S.P.A. (IT) 2016-08-09 US disclosed
US-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' FARMACEUTICI S.P.A. (IT) 2014-12-18 US disclosed
EP-2813502-A1 Bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe' S.p.A. (IT) 2014-12-17 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-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB1, BDKRB2, EDNRB GSK3B 2446/4885KMT2A 3540/4885CDC25B 3343/4885

“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.