SCHEMBL4929657

SCHEMBL4929657

COc1ccc2c(CC(N)=O)cc(=O)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.78
LCK P06239 1/20 0.78
ALDH1A1 P00352 1/20 0.76
HPGD P15428 1/20 0.76
CYP2D6 P10635 2/20 0.65
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 4/20 0.62
CA4 P22748 2/20 0.61
CA5A P35218 2/20 0.61
CA7 P43166 2/20 0.61
CA5B Q9Y2D0 2/20 0.61
MAOB P27338 1/20 0.61
CYP19A1 P11511 1/20 0.60
CA3 P07451 1/20 0.59
CA14 Q9ULX7 1/20 0.59

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
SCHEMBL246218 0.88 KDM4E (1.00) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL29397959 0.88 KDM4E (1.00) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL12221062 0.88 KDM4E (0.80) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL22872003 0.85 KDM4E (0.76) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL22871876 0.84 KDM4E (0.74) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL344648 0.83 CYP2D6 (0.72) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL3194989 0.83 KDM4E (0.72) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL6031499 0.83 CYP2D6 (0.76) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL22871913 0.82 KDM4E (0.71) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL9387319 0.81 CYP2D6 (0.74) KDM4ELCKALDH1A1HPGDCYP2D6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009911-A1 Hepsin substrates and prodrugs IRM, LLC (BM) 2004-01-15 US claimed
WO-2003064620-A2 HEPSIN SUBSTRATES AND PRODRUGS IRM, LLC (BM) 2003-08-07 WO claimed
WO-2003029823-A1 COMBINATORIAL PROTEASE SUBSTRATE LIBRARIES IRM LLC (BM) 2003-04-10 WO claimed
WO-2017035501-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2017-03-02 WO disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
US-20080032917-A1 FLAVIVIRUS PROTEASE SUBSTRATES AND INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2008-02-07 US disclosed
WO-2006014232-A2 DENGUE PROTEASE SUBSTRATES AND INHIBITORS IRM LLC (BM) 2006-02-09 WO disclosed
US-20050222383-A1 Prostasin substrates and inhibitors IRM LLC (BM) 2005-10-06 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2005076886-A2 PROSTASIN SUBSTRATES AND INHIBITORS IRM LLC (BM) 2005-08-25 WO disclosed
US-20040009911-A1 Hepsin substrates and prodrugs IRM, LLC (BM) 2004-01-15 US disclosed
WO-2003064620-A2 HEPSIN SUBSTRATES AND PRODRUGS IRM, LLC (BM) 2003-08-07 WO disclosed
WO-2003029823-A1 COMBINATORIAL PROTEASE SUBSTRATE LIBRARIES IRM LLC (BM) 2003-04-10 WO disclosed
US-20030059847-A1 Combinatorial protease substrate libraries IRM, LLC (BM) 2003-03-27 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 (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-20040009911-A1 Hepsin substrates and prodrugs HPN, SPR, TMPRSS15 KDM4E 4130/4885LCK 4125/4885ALDH1A1 2407/4885
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 KDM4E 628/4885LCK 982/4885ALDH1A1 1549/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KDM4E 1190/4885LCK 1697/4885ALDH1A1 2036/4885

“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.