SCHEMBL6038441

SCHEMBL6038441

O=S(=O)(Nc1nc2ccccc2nc1OCCCOCc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
LMNA P02545 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 4/20 0.51
RXFP1 Q9HBX9 2/20 0.49
MAPT P10636 3/20 0.46
AR P10275 1/20 0.44
POLB P06746 5/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL6038624 0.92 KMT2A (0.60) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6039114 0.92 KMT2A (0.57) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6038827 0.91 KMT2A (0.60) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6039175 0.90 KMT2A (0.54) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6038686 0.90 KDM4E (0.55) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6038512 0.87 KDM4E (0.69) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6039613 0.86 ALDH1A1 (0.53) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6039170 0.86 KDM4E (0.67) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6039124 0.82 KDM4E (0.72) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL6038610 0.81 KDM4E (0.67) KDM4ELMNAHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 KDM4E 3561/4885LMNA 4821/4885HSD17B10 2083/4885

“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.