SCHEMBL6562730

SCHEMBL6562730

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.60
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MC4R P32245 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL463120 0.88 MMP2 (0.64) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL4622957 0.88 MMP2 (0.64) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL4622948 0.88 MMP2 (0.64) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL6522414 0.84 MMP2 (0.61) MMP2LMNAMC4RLOXL2
SCHEMBL6100385 0.82 MMP2 (0.59) MMP2LMNAKMT2AMC4RLOXL2
SCHEMBL5000615 0.82 MMP2 (0.59) MMP2LMNAKMT2AMC4RLOXL2
SCHEMBL6798022 0.80 MMP2 (0.56) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL7065249 0.80 MMP2 (0.56) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL7065251 0.80 MMP2 (0.56) MMP2LMNAMEN1KMT2ANPC1
SCHEMBL12793689 0.80 MMP2 (0.57) MMP2LMNAMC4RSMN1; SMN2

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 MMP2 3977/4885LMNA 3353/4885MEN1 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.