SCHEMBL6562226

SCHEMBL6562226

O=C(O)CN(CC1CCCCC1N(CC(=O)O)CC(=O)O)CC(Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 3/20 0.36
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR5 P51681 2/20 0.33
USP21 Q9UK80 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
FAP Q12884 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
SCHEMBL14598858 0.88 SIGMAR1 (0.41) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL463655 0.88 SIGMAR1 (0.41) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL25936685 0.88 SIGMAR1 (0.41) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL14621087 0.88 SIGMAR1 (0.41) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL463616 0.88 SIGMAR1 (0.41) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL14629009 0.88 SIGMAR1 (0.41) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL6562219 0.84 KCNH2 (0.36) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL9136144 0.82 KCNH2 (0.49) KCNH2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6561474 0.79 KCNH2 (0.38) KCNH2SIGMAR1EPHX1DPP4DPP7
SCHEMBL10494760 0.79 KCNH2 (0.49) KCNH2ALDH1A1SMN1; SMN2MEN1KMT2A

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 KCNH2 4615/4885SIGMAR1 3499/4885EPHX1 237/4885

“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.