SCHEMBL4933923

SCHEMBL4933923

CCOC(=O)c1nc2ccc(CBr)cc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 7/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 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
SCHEMBL8200870 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL30208243 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL8197895 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL689369 0.86 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL13343442 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31574222 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL689649 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL13369305 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL688815 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL687822 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10PDE3B

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-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 ALDH1A1 1554/4885KDM4E 913/4885HPGD 160/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 ALDH1A1 1042/4885KDM4E 1156/4885HPGD 96/4885

“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.