SCHEMBL6038989

SCHEMBL6038989

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 7/20 0.57
CYP19A1 P11511 3/20 0.55
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
AR P10275 2/20 0.46
EDNRA P25101 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6039235 0.90 AR (0.60) CCR4CYP19A1AREDNRAMEN1
SCHEMBL6038742 0.89 CCR4 (0.71) CCR4AREDNRALMNA
SCHEMBL6039161 0.88 CCR4 (0.63) CCR4SMN1; SMN2AREDNRAMEN1
SCHEMBL6038713 0.86 CCR4 (0.61) CCR4AREDNRAMEN1KMT2A
SCHEMBL6038861 0.86 CCR4 (0.64) CCR4AREDNRALMNA
SCHEMBL6039073 0.86 CCR4 (0.64) CCR4CYP19A1AREDNRALMNA
SCHEMBL6039040 0.86 L3MBTL1 (0.51) CCR4CYP19A1SMN1; SMN2EDNRAL3MBTL1
SCHEMBL6039187 0.85 CCR4 (0.63) CCR4AREDNRALMNAMAPT
SCHEMBL6038358 0.85 CCR4 (0.60) CCR4AREDNRALMNAALDH1A1
SCHEMBL6039164 0.84 CCR4 (0.55) CCR4

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 CCR4 1/4885CYP19A1 3606/4885MAPK1 615/4885

“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.