SCHEMBL5798100

SCHEMBL5798100

O=C(O)Cc1ccc(C2=NCCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.61
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
PPARG P37231 1/20 0.51
TOP2A P11388 1/20 0.50
TOP2B Q02880 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1D P28221 1/20 0.49
ADRA1A P35348 1/20 0.49

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
Hydrochloric Acid SCHEMBL11680052 0.89 NISCH (0.57) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL4701782 0.86 NISCH (0.59) NISCHLMNARECQLPPARGTOP2A
Hydrochloric Acid SCHEMBL11681519 0.84 NISCH (0.58) NISCHLMNARECQLPPARGTOP2A
SCHEMBL15514295 0.80 NISCH (0.56) NISCHLMNARECQLPPARGTOP2A
SCHEMBL1936162 0.80 NISCH (0.60) NISCHHTR1DADRA1A
SCHEMBL5476725 0.78 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL14496851 0.78 NISCH (0.62) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL11326246 0.78 NISCH (0.54) NISCHLMNARECQLPPARGALDH1A1
SCHEMBL11326251 0.78 NISCH (0.54) NISCHLMNARECQLPPARGALDH1A1
SCHEMBL9528016 0.77 NISCH (0.54) NISCHLMNARECQLPPARGTOP2A

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-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
US-4018933-A PENICILLINS; BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US 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 NISCH 214/4885LMNA 1671/4885RECQL 709/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 NISCH 216/4885LMNA 1591/4885RECQL 839/4885

“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.