SCHEMBL5800419

SCHEMBL5800419

C=CC[C@H]1Nc2ccccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.53
ALDH1A1 P00352 13/20 0.53
MAPT P10636 7/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALOX15 P16050 3/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 4/20 0.50
HSD17B10 Q99714 8/20 0.49
BRPF1 P55201 1/20 0.49
CREBBP Q92793 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 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
SCHEMBL11445118 0.77 CREBBP (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30168111 0.77 KDM4E (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5579750 0.77 KDM4E (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL24852681 0.77 KDM4E (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30560162 0.77 KDM4E (0.57) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL24852596 0.77 KDM4E (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30418670 0.77 CREBBP (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1455790 0.76 IDO1 (0.58) KDM4EALDH1A1MAPTGAABRPF1
SCHEMBL10326494 0.74 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6037889 0.74 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A

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 3743/4885MAPT 3668/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 KDM4E 3438/4885ALDH1A1 3321/4885MAPT 3450/4885

“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.