SCHEMBL6563477

SCHEMBL6563477

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
MC4R P32245 1/20 0.37
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL9136144 0.84 KCNH2 (0.49) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL10494760 0.81 KCNH2 (0.49) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL6563642 0.80 KCNH2 (0.39) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL14598859 0.80 KCNH2 (0.44) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL438993 0.80 KCNH2 (0.44) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL405660 0.80 KCNH2 (0.44) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL6527472 0.79 KCNH2 (0.47) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL438991 0.77 MEN1 (0.43) MEN1KMT2AKCNH2NPC1TP53
SCHEMBL438992 0.77 MEN1 (0.43) MEN1KMT2AKCNH2NPC1TP53

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 1141/4885KCNH2 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 MEN1 439/4885KMT2A 3824/4885KCNH2 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.