SCHEMBL6563464

SCHEMBL6563464

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MC4R P32245 1/20 0.34
CPA1 P15085 3/20 0.34
MMP2 P08253 1/20 0.34
MAOB P27338 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
SCHEMBL6563449 0.86 MEN1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6563477 0.86 MEN1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6562574 0.83 EPHX1 (0.39) MEN1KMT2ALMNAKCNH2ALDH1A1
SCHEMBL6563610 0.82 LMNA (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7105865 0.81 MEN1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6562558 0.75 LMNA (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL438991 0.73 MEN1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL438992 0.73 MEN1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6560897 0.72 KCNH2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9136144 0.69 KCNH2 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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.