SCHEMBL5585629

SCHEMBL5585629

COc1ccc(OCc2ccc(C(F)(F)F)cc2)c(-c2csc(Nc3ccc(C(=O)O)cc3OCc3ccccc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.50
CSNK2A1 P68400 4/20 0.47
MEN1 O00255 10/20 0.47
NPC1 O15118 2/20 0.47
CSNK2A2 P19784 1/20 0.46
MAPT P10636 6/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGDS O60760 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGER1 P34995 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5585539 0.93 KMT2A (0.57) KMT2ACSNK2A1MEN1NPC1CSNK2A2
SCHEMBL5585717 0.89 ALOX5 (0.45) KMT2ACSNK2A1MEN1NPC1CSNK2A2
SCHEMBL5585682 0.88 CSNK2A1 (0.62) KMT2ACSNK2A1MEN1NPC1MAPT
SCHEMBL5585704 0.83 CSNK2A1 (0.68) KMT2ACSNK2A1MEN1NPC1MAPT
SCHEMBL5585435 0.79 ALOX5 (0.42) HTTSMN1; SMN2LMNACYP2C9PTGER1
SCHEMBL5585818 0.74 PTGER1 (0.47) CYP3A4CYP2C9PTGER1
SCHEMBL5585751 0.73 CSNK2A1 (0.59) KMT2ACSNK2A1MEN1NPC1MAPT
SCHEMBL5585387 0.72 NPSR1 (0.41) KMT2AMEN1NPC1MAPTHTT
SCHEMBL5585513 0.72 NPSR1 (0.41) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL5585420 0.72 CSNK2A1 (0.46) KMT2ACSNK2A1MEN1NPC1MAPT

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 124/4885MEN1 3299/4885

“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.