SCHEMBL6561474

SCHEMBL6561474

O=C(O)CN(CC(=O)O)C(Cc1ccc([N+](=O)[O-])cc1)CN(CC(=O)O)[C@H]1CC[C@H](N(CC(=O)O)CC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
CCR5 P51681 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
FAP Q12884 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 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
SCHEMBL463616 0.87 SIGMAR1 (0.41) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL25936685 0.87 SIGMAR1 (0.41) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL463655 0.87 SIGMAR1 (0.41) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL14598858 0.87 SIGMAR1 (0.41) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL14621087 0.87 SIGMAR1 (0.41) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL14629009 0.87 SIGMAR1 (0.41) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL9136144 0.82 KCNH2 (0.49) KCNH2MEN1KMT2ALMNATDP1
SCHEMBL6562226 0.79 KCNH2 (0.38) KCNH2CCR5MEN1KMT2ADPP4
SCHEMBL10494760 0.79 KCNH2 (0.49) KCNH2MEN1KMT2ALMNATDP1
SCHEMBL6527472 0.77 KCNH2 (0.47) KCNH2MEN1KMT2ALMNATDP1

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 KCNH2 4329/4885CCR5 707/4885MEN1 1437/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE KCNH2 4615/4885CCR5 1944/4885MEN1 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.