SCHEMBL5585682

SCHEMBL5585682

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.62
HPGDS O60760 1/20 0.53
CFTR P13569 1/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 5/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AMY1A P0DUB6 1/20 0.48
TYR P14679 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44

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 0.90 CSNK2A1 (0.68) CSNK2A1HPGDSKMT2AMEN1NPC1
SCHEMBL5585629 0.88 KMT2A (0.50) CSNK2A1HPGDSKMT2AMEN1NPC1
SCHEMBL5585751 0.84 CSNK2A1 (0.59) CSNK2A1HPGDSKMT2AMEN1NPC1
SCHEMBL5585717 0.82 ALOX5 (0.45) CSNK2A1KMT2AMEN1NPC1MAPT
SCHEMBL5585539 0.80 KMT2A (0.57) CSNK2A1HPGDSKMT2AMEN1NPC1
SCHEMBL5585445 0.78 HPGDS (0.58) CSNK2A1HPGDSKMT2AMEN1NPC1
SCHEMBL5585647 0.78 CSNK2A1 (0.52) CSNK2A1HPGDSKMT2AMEN1NPC1
SCHEMBL5585387 0.76 NPSR1 (0.41) KMT2AMEN1NPC1MAPTHTT
SCHEMBL5585513 0.76 NPSR1 (0.41) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL5585435 0.73 ALOX5 (0.42) CFTRHTTSMN1; SMN2RXRARXRB

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 3401/4885CFTR 1651/4885

“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.