SCHEMBL5757846

SCHEMBL5757846

CN(C)CCCNC(C(=O)O)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.59
CYP3A4 P08684 2/20 0.52
MAP1LC3B Q9GZQ8 2/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.52
PDE6D O43924 2/20 0.43
APP P05067 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1G O43497 1/20 0.41

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
SCHEMBL12386703 0.91 KIF11 (0.57) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL1890775 0.79 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5758646 0.78 KIF11 (0.72) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5760697 0.77 KIF11 (0.83) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5758110 0.77 KIF11 (0.64) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL1888699 0.77 KIF11 (0.52) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754574 0.77 KIF11 (0.65) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754805 0.77 KIF11 (0.68) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL1891976 0.76 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5791977 0.76 KIF11 (0.73) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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-1689724-B1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS NOVARTIS AG (CH) 2011-12-21 EP disclosed
EP-1689724-A1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-08-16 EP disclosed
US-20050209254-A1 Quinazolinone compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-22 US disclosed
WO-2005051922-A1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2005-06-09 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-20050209254-A1 Quinazolinone compounds as anticancer agents TP53, NQO2, TOP1 KIF11 2740/4885CYP3A4 404/4885MAP1LC3B 1121/4885

“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.