SCHEMBL5597209

SCHEMBL5597209

CC(=O)NCC(=O)CNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
SOAT1 P35610 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.39
PTGS1 P23219 1/20 0.39
MMP12 P39900 1/20 0.39
PAOX Q6QHF9 3/20 0.39
ADRA1A P35348 1/20 0.37
NFKB1 P19838 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
FAP Q12884 2/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
F13A1 P00488 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15151974 0.85
SCHEMBL12300701 0.85
SCHEMBL7006520 0.83
SCHEMBL13788528 0.83 ADRA1A (0.41) KDM4EMAPK1HIF1ASOAT1TSHR
SCHEMBL889371 0.83
SCHEMBL78087 0.83
SCHEMBL14445106 0.83 SOAT1 (0.40) KDM4EMAPK1HIF1ASOAT1TSHR
SCHEMBL21423976 0.83 ALDH1A1 (0.39) KDM4EMAPK1HIF1ASOAT1TSHR
SCHEMBL11168910 0.81 SOAT1 (0.46) KDM4EMAPK1HIF1ASOAT1TSHR
SCHEMBL10669744 0.81 ALDH1A1 (0.50) KDM4EMAPK1HIF1ASOAT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
WO-2019189778-A1 COMPOUND WITH ANTICANCER ACTIVITY 協和発酵キリン株式会社 2019-10-03 WO disclosed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 EP disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A KDM4E 3043/4885MAPK1 23/4885HIF1A 3203/4885

“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.