SCHEMBL5585539

SCHEMBL5585539

COc1ccc(OCc2ccccc2)c(-c2csc(Nc3ccc(C(=O)O)cc3OCc3ccccc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.57
CSNK2A1 P68400 4/20 0.54
MAPT P10636 6/20 0.51
MEN1 O00255 9/20 0.50
CSNK2A2 P19784 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
HPGDS O60760 1/20 0.49
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL5585629 0.93 KMT2A (0.50) KMT2ACSNK2A1MAPTMEN1CSNK2A2
SCHEMBL5585704 0.89 CSNK2A1 (0.68) KMT2ACSNK2A1MAPTMEN1LMNA
SCHEMBL5585717 0.82 ALOX5 (0.45) KMT2ACSNK2A1MAPTMEN1CSNK2A2
SCHEMBL5585682 0.80 CSNK2A1 (0.62) KMT2ACSNK2A1MAPTMEN1LMNA
SCHEMBL5585818 0.78 PTGER1 (0.47) CYP3A4CYP2C9
SCHEMBL5585751 0.77 CSNK2A1 (0.59) KMT2ACSNK2A1MAPTMEN1LMNA
SCHEMBL28117026 0.77 TUBB4A (0.67) KMT2ACSNK2A1MAPTMEN1LMNA
SCHEMBL5585445 0.77 HPGDS (0.58) KMT2ACSNK2A1MAPTMEN1SMN1; SMN2
SCHEMBL5585420 0.76 CSNK2A1 (0.46) KMT2ACSNK2A1MAPTMEN1LMNA
SCHEMBL5585878 0.72 PTGER1 (0.56) MAPTCYP3A4CYP2C9

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 KMT2A 2589/4885CSNK2A1 124/4885MAPT 4536/4885

“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.