SCHEMBL6563610

SCHEMBL6563610

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MAOB P27338 1/20 0.32
ACE P12821 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL6563642 0.86 KCNH2 (0.39) LMNAKCNH2MEN1KMT2ANPC1
SCHEMBL6563464 0.82 MEN1 (0.39) LMNAKCNH2MEN1KMT2ANPC1
SCHEMBL7105865 0.81 MEN1 (0.42) LMNAKCNH2MEN1KMT2ANPC1
SCHEMBL6562574 0.77 EPHX1 (0.39) LMNAKCNH2MEN1KMT2ACA2
SCHEMBL6561572 0.75 NR1D1 (0.46) LMNAMEN1KMT2AMMP1MMP2
SCHEMBL6562558 0.75 LMNA (0.38) LMNAKCNH2MEN1KMT2ANPC1
SCHEMBL6560873 0.74 HSD17B10 (0.34) TP53
SCHEMBL6560847 0.74 KMT2A (0.35) KMT2ARAB9ACA2MAPT
SCHEMBL6563449 0.74 MEN1 (0.37) LMNAKCNH2MEN1KMT2ANPC1
SCHEMBL6560944 0.74 KMT2A (0.35) KMT2ARAB9ACA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE LMNA 3353/4885KCNH2 4615/4885MEN1 439/4885

“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.