SCHEMBL6563449

SCHEMBL6563449

O=C(O)CN(CC(CNC(CC(Cc1ccc([N+](=O)[O-])cc1)NC(C(=O)O)C(=O)O)C(=O)O)Cc1ccccc1)C(C(=O)O)N(CC(=O)O)CC(CNC(CC(Cc1ccc([N+](=O)[O-])cc1)NC(C(=O)O)C(=O)O)C(=O)O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGA4 P13612 5/20 0.35
ITGB7 P26010 5/20 0.35
LMNA P02545 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MME P08473 1/20 0.33
MC4R P32245 1/20 0.33
KCNH2 Q12809 1/20 0.32

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 0.86 MEN1 (0.39) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6563477 0.76 MEN1 (0.40) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6562549 0.74 LMNA (0.35) MEN1KMT2AITGA4LMNACA2
SCHEMBL6563610 0.74 LMNA (0.36) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6562574 0.71 EPHX1 (0.39) MEN1KMT2ALMNACA2KCNH2
SCHEMBL7105865 0.70 MEN1 (0.42) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL6561464 0.70 LMNA (0.36) MEN1KMT2ALMNACA2MME
SCHEMBL6560897 0.67 KCNH2 (0.39) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL438991 0.67 MEN1 (0.43) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL438992 0.67 MEN1 (0.43) MEN1KMT2ANPC1TP53RAB9A

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 MEN1 1437/4885KMT2A 1141/4885NPC1 2094/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE MEN1 439/4885KMT2A 3824/4885NPC1 3087/4885

“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.