SCHEMBL5585386

SCHEMBL5585386

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.46
CPT2 P23786 3/20 0.46
CPT1B Q92523 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MRE11 P49959 1/20 0.45
CSNK2A1 P68400 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL5585574 0.91 LMNA (0.45) CPT1AHRH3MRE11HDAC3HDAC1
SCHEMBL5585929 0.90 CSNK2A1 (0.58) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL5999835 0.87 HRH3 (0.45) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL6000178 0.86 HRH3 (0.44) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL5585526 0.85 CSNK2A1 (0.44) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL5585514 0.85 HRH3 (0.48) CPT1ACPT2CPT1BHRH3ALDH1A1
SCHEMBL5585726 0.85 HRH3 (0.48) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL5585882 0.84 HRH3 (0.47) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL5585872 0.84 HRH3 (0.47) CPT1ACPT2CPT1BHRH3MRE11
SCHEMBL5585376 0.83 PTPN1 (0.46) CPT1ACPT2CPT1BHRH3MRE11

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 CPT1A 753/4885CPT2 2684/4885CPT1B 1630/4885

“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.