SCHEMBL5585574

SCHEMBL5585574

COC(=O)c1ccc(CNc2nc(-c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MRE11 P49959 1/20 0.44
PTPN1 P18031 1/20 0.44
TRPA1 O75762 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CPT1A P50416 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL5585386 0.91 CPT1A (0.46) LMNAMRE11PTPN1TRPA1RAB9A
SCHEMBL5585530 0.83 LMNA (0.42) LMNAMRE11PTPN1RAB9ANPC1
SCHEMBL5585929 0.81 CSNK2A1 (0.58) MRE11PTPN1RAB9ANPC1CPT1A
SCHEMBL5999835 0.79 HRH3 (0.45) MRE11PTPN1RAB9ANPC1CPT1A
SCHEMBL6000178 0.78 HRH3 (0.44) MRE11PTPN1RAB9ANPC1CPT1A
SCHEMBL5585526 0.77 CSNK2A1 (0.44) LMNAMRE11PTPN1TRPA1RAB9A
SCHEMBL5585253 0.77 CA1 (0.41) LMNAMRE11TRPA1RAB9ANPC1
SCHEMBL16211806 0.77 MEN1 (0.56) LMNARAB9ANPC1MAPTMEN1
SCHEMBL5585376 0.77 PTPN1 (0.46) MRE11PTPN1RAB9ANPC1CPT1A
SCHEMBL16211539 0.76 HDAC3 (0.64) LMNARAB9ANPC1MAPTMEN1

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 LMNA 4756/4885MRE11 4833/4885PTPN1 2/4885

“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.