SCHEMBL6038372

SCHEMBL6038372

O=S(=O)(Nc1nccnc1OCc1ccncc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
AR P10275 1/20 0.49
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 2/20 0.47
F2 P00734 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.43
PTGS2 P35354 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
NAMPT P43490 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
CA12 O43570 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
SCHEMBL6038663 0.87 LMNA (0.53) KMT2AMEN1ARALDH1A1F2
SCHEMBL6038819 0.87 HTT (0.55) KMT2AMEN1ARALDH1A1F2
SCHEMBL6039079 0.87 HTT (0.55) KMT2AMEN1ARALDH1A1MAPT
SCHEMBL6039001 0.87 MEN1 (0.53) KMT2AMEN1ARALDH1A1ALOX12
SCHEMBL6038780 0.86 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL6038879 0.84 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL6038546 0.83 MEN1 (0.66) KMT2AMEN1ARALDH1A1F2
SCHEMBL6038605 0.82 KMT2A (0.54) KMT2AMEN1ARALDH1A1MAPT
SCHEMBL6038900 0.80 KMT2A (0.53) KMT2AMEN1ARALDH1A1ALOX12
SCHEMBL6039144 0.79 AR (0.60) KMT2AMEN1ARALDH1A1ALOX12

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 KMT2A 4190/4885MEN1 2431/4885AR 422/4885

“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.