SCHEMBL6560864

SCHEMBL6560864

CC(C)(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(Cc1ccc(NC(=O)CBr)cc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
LTA4H P09960 1/20 0.37
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA4 P22748 2/20 0.34
POLB P06746 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
MITF O75030 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RORC P51449 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 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
SCHEMBL6560961 0.91 KMT2A (0.37) KMT2AATMLTA4HCA1CA2
SCHEMBL6560960 0.89 KMT2A (0.38) KMT2AATMLTA4HNR1H4TSHR
SCHEMBL2538468 0.89 KMT2A (0.43) KMT2AATMCA1CA2CA12
SCHEMBL7170464 0.89 KMT2A (0.43) KMT2AATMCA1CA2CA12
SCHEMBL443090 0.85 KMT2A (0.41) KMT2AATMCA1CA2CA12
SCHEMBL437799 0.85 KMT2A (0.41) KMT2AATMCA1CA2CA12
SCHEMBL6560605 0.84 OPRM1 (0.35) KMT2AATMLTA4HPOLBNR1H4
SCHEMBL6560847 0.82 KMT2A (0.35) KMT2AATMLTA4HCA1CA2
SCHEMBL6865491 0.82 NPC1 (0.32) NPC1RAB9A
SCHEMBL437798 0.81 KMT2A (0.38) KMT2AATMCA1CA2CA12

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 604/4885LTA4H 322/4885
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 92/4885LTA4H 458/4885

“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.