SCHEMBL6562574

SCHEMBL6562574

O=C(O)CN(CC(Cc1ccc([N+](=O)[O-])cc1)NC(C(=O)O)C(=O)O)CC(C1CCCC1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.39
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PGR P06401 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CCR5 P51681 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
CA2 P00918 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
SCHEMBL6563464 0.83 MEN1 (0.39) LMNAKCNH2ALDH1A1MEN1KMT2A
SCHEMBL7105865 0.81 MEN1 (0.42) LMNAKCNH2ALDH1A1MEN1KMT2A
SCHEMBL6562558 0.79 LMNA (0.38) EPHX1LMNAKCNH2MEN1KMT2A
SCHEMBL6563610 0.77 LMNA (0.36) LMNAKCNH2MEN1KMT2ACA2
SCHEMBL438992 0.74 MEN1 (0.43) LMNAKCNH2ALDH1A1MEN1KMT2A
SCHEMBL438991 0.74 MEN1 (0.43) LMNAKCNH2ALDH1A1MEN1KMT2A
SCHEMBL6560897 0.72 KCNH2 (0.39) LMNAKCNH2ALDH1A1CCR5MEN1
SCHEMBL6562549 0.72 LMNA (0.35) EPHX1LMNAKCNH2MEN1KMT2A
SCHEMBL6562219 0.72 KCNH2 (0.36) EPHX1LMNAKCNH2ALDH1A1KDM4E
SCHEMBL6561464 0.72 LMNA (0.36) EPHX1LMNAKCNH2ALDH1A1PGR

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
US-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-12-23 US disclosed
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-10-16 US disclosed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 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-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents EEA1, PCTP, TTPA EPHX1 303/4885LMNA 3545/4885KCNH2 4329/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE EPHX1 237/4885LMNA 3353/4885KCNH2 4615/4885

“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.