SCHEMBL5585698

SCHEMBL5585698

O=C(O)c1cccc(Nc2nc(-c3ccc(NC(=O)c4ccc(C5CCCCC5)cc4)cc3)cs2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 9/20 0.60
KDM4E B2RXH2 4/20 0.60
MAPK1 P28482 2/20 0.60
CSNK2A1 P68400 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
GAA P10253 2/20 0.56
POLB P06746 2/20 0.55
PHGDH O43175 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 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
SCHEMBL5585937 0.91 MEN1 (0.64) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5585254 0.82 HDAC3 (0.48) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5585750 0.80 MEN1 (0.88) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL22452557 0.80 MEN1 (0.60) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5585817 0.80 HDAC3 (0.45) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL6000469 0.78 HDAC8 (0.53) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5585410 0.78 HDAC3 (0.53) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL28482021 0.77 CSNK2A1 (0.80) MEN1KMT2AMAPTCSNK2A1NPSR1
SCHEMBL29737068 0.77 CSNK2A1 (0.80) MEN1KMT2AMAPTCSNK2A1NPSR1
SCHEMBL12316832 0.77 MEN1 (0.79) MEN1KMT2AMAPTKDM4EMAPK1

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 5 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-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 MEN1 3299/4885KMT2A 2589/4885MAPT 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.