SCHEMBL6562549

SCHEMBL6562549

O=C(O)CN(CC(=O)O)CC1(CNC(CC(Cc2ccc([N+](=O)[O-])cc2)NC(C(=O)O)C(=O)O)C(=O)O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KCNH2 Q12809 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ECE1 P42892 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
USP21 Q9UK80 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM1A O60341 1/20 0.32
MME P08473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6562558 0.86 LMNA (0.38) LMNAKCNH2CA2EPHX1MEN1
SCHEMBL6561464 0.75 LMNA (0.36) LMNAKCNH2CA2EPHX1MEN1
SCHEMBL6563449 0.74 MEN1 (0.37) LMNAKCNH2CA2MEN1KMT2A
SCHEMBL6562592 0.73 KCNH2 (0.40) LMNAKCNH2EPHX1MEN1KMT2A
SCHEMBL6562574 0.72 EPHX1 (0.39) LMNAKCNH2CA2EPHX1MEN1
SCHEMBL7105865 0.71 MEN1 (0.42) LMNAKCNH2CA2MEN1KMT2A
SCHEMBL6563464 0.66 MEN1 (0.39) LMNAKCNH2MEN1KMT2AOPRM1
SCHEMBL6563610 0.66 LMNA (0.36) LMNAKCNH2CA2MEN1KMT2A
SCHEMBL6560897 0.65 KCNH2 (0.39) LMNAKCNH2CA2MEN1KMT2A
SCHEMBL9139386 0.65 CA2 (0.51) LMNAKCNH2CA2MEN1KMT2A

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 LMNA 3545/4885KCNH2 4329/4885CA2 3233/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE LMNA 3353/4885KCNH2 4615/4885CA2 3967/4885

“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.