SCHEMBL5797612

SCHEMBL5797612

O=C(O)C[C@@H]1C(=O)Nc2ccccc2N1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.63
HDAC8 Q9BY41 9/20 0.63
HDAC6 Q9UBN7 9/20 0.63
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.45
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 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
SCHEMBL6280727 0.84 MAPT (0.46) HDAC2HDAC8HDAC6GLAHSD17B10
SCHEMBL5078396 0.78 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5078399 0.78 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5082166 0.78 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5077671 0.76 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5077668 0.76 HDAC6 (1.00) HDAC2HDAC8HDAC6
SCHEMBL5579701 0.76 HDAC6 (0.81) HDAC2HDAC8HDAC6
SCHEMBL5579361 0.75 HDAC2 (0.74) HDAC2HDAC8HDAC6
SCHEMBL29778116 0.74 HDAC2 (0.49) HDAC2HDAC8HDAC6LMNAALOX12
SCHEMBL7057266 0.74 HDAC8 (0.62) HDAC2HDAC8HDAC6KMT2A

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
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 US claimed
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-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2005-08-04 US 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 (3 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-20050166335-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 HDAC2 1478/4885HDAC8 1524/4885HDAC6 1213/4885
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 HDAC2 2455/4885HDAC8 3954/4885HDAC6 4045/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 HDAC2 3230/4885HDAC8 4155/4885HDAC6 4266/4885

“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.