SCHEMBL24452602

SCHEMBL24452602

O=C(NCCCN(CCCCN(CCCNC(=O)c1cccc(=O)n1O)C(=O)c1cccc(=O)n1O)Cc1cccc(=O)n1O)c1cccc(=O)n1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
ACKR3 P25106 6/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK2 Q16620 1/20 0.32
APP P05067 1/20 0.32
MAPT P10636 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
SCHEMBL13531452 0.90 IDH1 (0.50) IDH1MMP1MMP3MMP7MMP9
SCHEMBL24636658 0.83 IDH1 (0.43) IDH1MMP1MMP3MMP7MMP9
SCHEMBL15314089 0.83 IDH1 (0.55) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13531437 0.80 IDH1 (0.53) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13531434 0.80 IDH1 (0.53) IDH1MMP1MMP3MMP7MMP9
SCHEMBL11990369 0.79 IDH1 (0.54) IDH1MMP1MMP3MMP7MMP9
SCHEMBL4558007 0.78 ALOX5 (0.53) IDH1MMP1MMP3MMP7MMP9
SCHEMBL19726663 0.78 MMP1 (0.40) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13531435 0.77 IDH1 (0.49) IDH1MMP1MMP3MMP7MMP9
SCHEMBL22815228 0.77 MMP1 (0.42) IDH1MMP1MMP3MMP7MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160904-A1 CHELATING PLATFORM FOR DELIVERY OF RADIONUCLIDES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-05-26 US 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-20220160904-A1 CHELATING PLATFORM FOR DELIVERY OF RADIONUCLIDES SLC40A1, TFRC, SLC39A14 IDH1 1063/4885MMP1 633/4885MMP3 1216/4885

“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.