SCHEMBL6038834

SCHEMBL6038834

Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(C)c([N+](=O)[O-])c3)nc2OCc2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.44
SCN9A Q15858 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP19A1 P11511 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
MGMT P16455 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6038468 0.90 CCR4 (0.47) CCR4SCN9APOLBLMNANAMPT
SCHEMBL6038813 0.88 CCR4 (0.52) CCR4SCN9APOLBLMNANAMPT
SCHEMBL6038592 0.88 KMO (0.49) CCR4SCN9AKDM4ECYP19A1MAPT
SCHEMBL6038775 0.86 CCR4 (0.47) CCR4SCN9APOLBLMNANAMPT
SCHEMBL6038976 0.86 CCR4 (0.50) CCR4SCN9APOLBLMNANAMPT
SCHEMBL6038479 0.85 POLB (0.49) CCR4SCN9APOLBLMNAKDM4E
SCHEMBL6038916 0.85 CCR4 (0.49) CCR4SCN9APOLBLMNANAMPT
SCHEMBL6038816 0.84 CCR4 (0.50) CCR4SCN9APOLBLMNAKDM4E
SCHEMBL6039115 0.84 CCR4 (0.53) CCR4SCN9APOLBNAMPTPKM
SCHEMBL6038894 0.84 CCR4 (0.49) CCR4SCN9APOLBLMNANAMPT

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 1/4885SCN9A 2242/4885POLB 4738/4885

“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.