SCHEMBL5585704

SCHEMBL5585704

COc1ccc(OCc2ccccc2)c(-c2csc(Nc3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.68
HPGDS O60760 1/20 0.63
KMT2A Q03164 8/20 0.58
AMY1A P0DUB6 2/20 0.53
TYR P14679 1/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.51
PLAU P00749 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
HTT P42858 1/20 0.51
ALOX5 P09917 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
RECQL P46063 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL5585682 0.90 CSNK2A1 (0.62) CSNK2A1HPGDSKMT2AAMY1ATYR
SCHEMBL5585539 0.89 KMT2A (0.57) CSNK2A1HPGDSKMT2AMAPTMEN1
SCHEMBL5585445 0.88 HPGDS (0.58) CSNK2A1HPGDSKMT2AAMY1ATYR
SCHEMBL5585751 0.87 CSNK2A1 (0.59) CSNK2A1HPGDSKMT2AAMY1ATYR
SCHEMBL5585629 0.83 KMT2A (0.50) CSNK2A1HPGDSKMT2AMAPTMEN1
SCHEMBL5585647 0.80 CSNK2A1 (0.52) CSNK2A1HPGDSKMT2AAMY1ATYR
SCHEMBL5585878 0.77 PTGER1 (0.56) MAPT
SCHEMBL5585565 0.77 CSNK2A1 (0.71) CSNK2A1HPGDSKMT2AAMY1AMAPT
SCHEMBL12297317 0.77 PTGS2 (0.67) CSNK2A1KMT2AAMY1AMAPTMEN1
SCHEMBL12297377 0.75 ALOX5 (0.58) CSNK2A1KMT2AAMY1AMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 CSNK2A1 124/4885HPGDS 3401/4885KMT2A 2589/4885

“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.