SCHEMBL6561464

SCHEMBL6561464

O=C(O)CN(CC(=O)O)C1CCC(NC(CC(Cc2ccc([N+](=O)[O-])cc2)NC(C(=O)O)C(=O)O)C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CA2 P00918 1/20 0.36
CCR5 P51681 2/20 0.35
PPARG P37231 1/20 0.34
EPHX1 P07099 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MME P08473 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PGR P06401 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
SCHEMBL6562549 0.75 LMNA (0.35) LMNACA2EPHX1MEN1KMT2A
SCHEMBL6562574 0.72 EPHX1 (0.39) LMNACA2CCR5EPHX1MEN1
SCHEMBL6561474 0.71 KCNH2 (0.38) LMNACCR5EPHX1MEN1KMT2A
SCHEMBL6563449 0.70 MEN1 (0.37) LMNACA2MEN1KMT2AALDH1A1
SCHEMBL7105865 0.69 MEN1 (0.42) LMNACA2MEN1KMT2AALDH1A1
SCHEMBL6562558 0.67 LMNA (0.38) LMNACA2EPHX1MEN1KMT2A
SCHEMBL10920262 0.66 ITGA4 (0.51) EPHX1
SCHEMBL15910006 0.65 EPHX1 (0.50) LMNACA2EPHX1ALDH1A1MME
SCHEMBL10923844 0.65 ITGA4 (0.58) MEN1KMT2ASIGMAR1
SCHEMBL5869394 0.64 FOLH1 (0.51) LMNACA2MEN1KMT2AALDH1A1

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 3545/4885CA2 3233/4885CCR5 707/4885
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 3353/4885CA2 3967/4885CCR5 1944/4885

“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.