SCHEMBL5798716

SCHEMBL5798716

C=CC(O)c1nc2ccccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 5/20 0.55
▸ KMT2A Q03164 6/20 0.51
▸ GAA P10253 3/20 0.51
▸ MAPT P10636 5/20 0.50
▸ PLAUR Q03405 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPK10 P53779 1/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KHK P50053 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL11663293 0.78 IDO1 (0.66) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL8504178 0.76 IDO1 (0.64) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL24289840 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL30637053 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL12794452 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL28023165 0.76 KDM4E (0.64) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL30020933 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL28492075 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL31315687 0.74 ALDH1A1 (0.59) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL16403339 0.73 PLAUR (0.61) KDM4EALDH1A1HPGDKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572209-A4 NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS MERCK & CO INC (US) 2006-12-06 — — EP disclosed
EP-1572209-A1 NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Merck & Co., Inc. (US) 2005-09-14 — — EP disclosed
US-6908921-B2 Quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. (US) 2005-06-21 — — US disclosed
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 — — US disclosed
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. 2004-07-08 — — US disclosed
WO-2004054584-A1 NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS MERCK & CO., INC. (US) 2004-07-01 — — 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 (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-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 KDM4E 3049/4885ALDH1A1 3743/4885HPGD 131/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 KDM4E 3438/4885ALDH1A1 3321/4885HPGD 131/4885

“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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