SCHEMBL5797540

SCHEMBL5797540

O=C(O)C[C@H]1Nc2cc(Cl)ccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.51
ALDH1A1 P00352 12/20 0.51
MAPT P10636 8/20 0.51
GAA P10253 7/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
HTT P42858 2/20 0.51
NTSR1 P30989 1/20 0.51
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
ALOX15 P16050 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 5/20 0.47
LMNA P02545 1/20 0.44
CASP1 P29466 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL4425365 0.80 ALDH1A1 (0.74) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL4420851 0.80 ALDH1A1 (0.74) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL26634219 0.78 PGR (0.43) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL26634218 0.78 PGR (0.43) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL26634229 0.78 PGR (0.43) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL8686842 0.77 MAPT (0.41) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL7798501 0.77 MAPT (0.41) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL28380362 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL28381212 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL7174569 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTGAAMEN1

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-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-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 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 (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-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 KDM4E 3049/4885ALDH1A1 3743/4885MAPT 3668/4885

“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.