SCHEMBL6560942

SCHEMBL6560942

CC(=O)Nc1ccc(CC(CN(CC(=O)O)CC(C)(C)CN(CC(=O)O)CC(=O)O)NC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PTPN1 P18031 1/20 0.34
NPR3 P17342 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MME P08473 1/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CCR5 P51681 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
SCHEMBL6560944 0.91 KMT2A (0.35) KMT2APOLBMAPTNR1H4GAA
SCHEMBL6560847 0.90 KMT2A (0.35) KMT2APOLBMAPTNR1H4GAA
SCHEMBL6562236 0.83 CA2 (0.33)
SCHEMBL6560591 0.83 RAB9A (0.32) KMT2AMEN1POLBMAPTNR1H4
SCHEMBL6560960 0.82 KMT2A (0.38) KMT2AMEN1PTPN1NPR3EPHX2
SCHEMBL6560873 0.82 HSD17B10 (0.34)
SCHEMBL6563610 0.76 LMNA (0.36) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6560961 0.73 KMT2A (0.37) KMT2APOLBNR1H4HPGDATM
SCHEMBL6560864 0.72 KMT2A (0.37) KMT2APOLBNR1H4TSHRHPGD
SCHEMBL6560883 0.71 HSD17B10 (0.30)

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 1141/4885MEN1 1437/4885PTPN1 4395/4885
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 3824/4885MEN1 439/4885PTPN1 4686/4885

“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.