SCHEMBL5585751

SCHEMBL5585751

COc1ccc(OCc2ccc(C3CCCCC3)cc2)c(-c2csc(Nc3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.59
HPGDS O60760 1/20 0.50
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 6/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
AMY1A P0DUB6 1/20 0.46
TYR P14679 1/20 0.46
PLAU P00749 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NPC1 O15118 1/20 0.44
TRPC3 Q13507 1/20 0.43

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
SCHEMBL5585704 0.87 CSNK2A1 (0.68) CSNK2A1HPGDSKMT2AMEN1MAPT
SCHEMBL5585682 0.84 CSNK2A1 (0.62) CSNK2A1HPGDSKMT2AMEN1MAPT
SCHEMBL5585929 0.84 CSNK2A1 (0.58) CSNK2A1KMT2AMEN1MAPTKDM4E
SCHEMBL5585573 0.81 CSNK2A1 (0.61) CSNK2A1KMT2AMEN1MAPTNPSR1
SCHEMBL5585526 0.78 CSNK2A1 (0.44) CSNK2A1KMT2AMEN1MAPTLMNA
SCHEMBL5585539 0.77 KMT2A (0.57) CSNK2A1HPGDSKMT2AMEN1MAPT
SCHEMBL5585717 0.77 ALOX5 (0.45) CSNK2A1KMT2AMEN1MAPTHTT
SCHEMBL5585445 0.76 HPGDS (0.58) CSNK2A1HPGDSKMT2AMEN1MAPT
SCHEMBL5585647 0.76 CSNK2A1 (0.52) CSNK2A1HPGDSKMT2AMEN1MAPT
SCHEMBL5585420 0.75 CSNK2A1 (0.46) CSNK2A1KMT2AMEN1MAPTLMNA

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.