SCHEMBL6039013

SCHEMBL6039013

O=S(=O)(Nc1nccnc1OCc1cccnc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
CCR4 P51679 1/20 0.49
AR P10275 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
NAMPT P43490 3/20 0.43
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL6038743 0.89 HTT (0.51) SCN9ACCR4ARHTTSMN1; SMN2
SCHEMBL6038438 0.89 CCR4 (0.54) SCN9ACCR4ARCYP2C19HTT
SCHEMBL6039001 0.89 MEN1 (0.53) SCN9ACCR4ARMEN1KMT2A
SCHEMBL6038997 0.88 NAMPT (0.51) SCN9ACCR4CYP1A2CYP3A4CYP2D6
SCHEMBL6039079 0.87 HTT (0.55) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6038733 0.86 SCN9A (0.50) SCN9ACCR4HTTSMN1; SMN2MEN1
SCHEMBL6039075 0.85 KDM4E (0.53) SCN9ACCR4ARHTTSMN1; SMN2
SCHEMBL6039159 0.80 CCR4 (0.58) SCN9ACCR4HTTSMN1; SMN2MEN1
SCHEMBL6038356 0.79 MEN1 (0.46) CCR4ARCYP1A2CYP3A4CYP2D6
SCHEMBL6038939 0.79 AR (0.49) CCR4ARCYP1A2CYP3A4CYP2D6

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 SCN9A 2242/4885CCR4 1/4885AR 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.