SCHEMBL259330

SCHEMBL259330

CN(C)c1ccc2c(CC(N)=O)cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ LCK P06239 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ FYN P06241 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ GRB2 P62993 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NR4A1 P22736 1/20 0.50

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
SCHEMBL259612 0.88 LCK (0.66) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL2627659 0.88 LCK (0.51) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL29592816 0.88 LCK (0.66) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL22677549 0.84 ALDH1A1 (0.48) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL2627650 0.84 KDM4E (0.50) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL10076374 0.84 KDM4E (0.47) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL6689431 0.83 HSD17B3 (0.62) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3339280 0.82 BCHE (0.45) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL15984343 0.82 KDM4E (0.54) KDM4EALDH1A1LCKHPGDMAPT
SCHEMBL12948863 0.82 KDM4E (0.46) KDM4EALDH1A1LCKHPGDMAPT

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
US-8133902-B2 Ammosamides as anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-13 — — US disclosed
US-20110092534-A1 Ammosamides as Anticancer Agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-04-21 — — US disclosed
WO-2009006319-A2 AMMOSAMIDES AS ANTICANCER AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-08 — — WO 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
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 (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-20040009911-A1 Hepsin substrates and prodrugs HPN, SPR, TMPRSS15 KDM4E 4130/4885ALDH1A1 2407/4885LCK 4125/4885
US-20110092534-A1 Ammosamides as Anticancer Agents CCNO, CCNB1, SLC43A1 KDM4E 1144/4885ALDH1A1 1442/4885LCK 2724/4885

“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.

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