SCHEMBL6563642

SCHEMBL6563642

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 1/20 0.34
NR1D1 P20393 1/20 0.33
MC4R P32245 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL6563610 0.86 LMNA (0.36) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL9136144 0.84 KCNH2 (0.49) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL10494760 0.81 KCNH2 (0.49) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL6563477 0.80 MEN1 (0.40) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL438993 0.80 KCNH2 (0.44) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL14598859 0.80 KCNH2 (0.44) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL405660 0.80 KCNH2 (0.44) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL6527472 0.79 KCNH2 (0.47) KCNH2MEN1KMT2ANPC1TP53
SCHEMBL28728445 0.78 KCNH2 (0.45) KCNH2MEN1KMT2ANPC1TP53
Trifluoroacetic Acid SCHEMBL7806342 0.78 KCNH2 (0.40) KCNH2MEN1KMT2ANPC1TP53

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 4615/4885MEN1 439/4885KMT2A 3824/4885

“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.