SCHEMBL6560944

SCHEMBL6560944

CC(C)(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(Cc1ccc(NC(=O)CI)cc1)NC(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
LTA4H P09960 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA4 P22748 2/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
MITF O75030 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL6560847 0.91 KMT2A (0.35) KMT2AATMCA1CA2LTA4H
SCHEMBL6560942 0.91 KMT2A (0.36) KMT2AATMGAAMAPTHPGD
SCHEMBL6560591 0.84 RAB9A (0.32) KMT2AATMCA1CA2MAPT
SCHEMBL6560961 0.83 KMT2A (0.37) KMT2AATMCA1CA2LTA4H
SCHEMBL6562236 0.81 CA2 (0.33) CA1CA2CA4
SCHEMBL6560873 0.79 HSD17B10 (0.34)
SCHEMBL437716 0.74 KMT2A (0.37) KMT2AATMCA1CA2CA12
SCHEMBL437715 0.74 KMT2A (0.37) KMT2AATMCA1CA2CA12
SCHEMBL6563610 0.74 LMNA (0.36) KMT2ACA2MAPTRAB9A
SCHEMBL6560864 0.73 KMT2A (0.37) KMT2AATMCA1CA2LTA4H

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 KMT2A 1141/4885ATM 604/4885CA1 3070/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE KMT2A 3824/4885ATM 92/4885CA1 1901/4885

“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.