SCHEMBL6039079

SCHEMBL6039079

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
AR P10275 1/20 0.49
GAA P10253 4/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
L3MBTL1 Q9Y468 2/20 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) HTTSMN1; SMN2KMT2AMEN1AR
SCHEMBL6038372 0.87 KMT2A (0.49) NPSR1KMT2AMEN1ARGAA
SCHEMBL6038819 0.87 HTT (0.55) HTTSMN1; SMN2KMT2AMEN1AR
SCHEMBL6039013 0.87 SCN9A (0.50) HTTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6038780 0.86 KMT2A (0.59) HTTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6038879 0.84 KMT2A (0.52) HTTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL6038921 0.83 KDM4E (0.56) HTTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6038605 0.82 KMT2A (0.54) HTTSMN1; SMN2KMT2AMEN1AR
SCHEMBL6038356 0.81 MEN1 (0.46) HTTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6038939 0.79 AR (0.49) HTTSMN1; SMN2CYP1A2CYP3A4CYP2D6

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 HTT 3895/4885SMN1; SMN2 1302/4885CYP1A2 2084/4885

“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.