SCHEMBL5585553

SCHEMBL5585553

O=C(O)c1ccc(Nc2nc(-c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)cs2)c(OCCC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.41
CSNK2A1 P68400 5/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALOX5 P09917 1/20 0.37

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
SCHEMBL5585526 0.93 CSNK2A1 (0.44) MRE11CSNK2A1MRGPRX4TUBB4ATUBB
SCHEMBL5585420 0.91 CSNK2A1 (0.46) MRE11CSNK2A1MRGPRX4TUBB4ATUBB
SCHEMBL5585929 0.83 CSNK2A1 (0.58) MRE11CSNK2A1HRH3ALOX5CPT2
SCHEMBL5585386 0.80 CPT1A (0.46) MRE11CSNK2A1MRGPRX4HRH3FFAR1
SCHEMBL5585717 0.79 ALOX5 (0.45) CSNK2A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5585818 0.78 PTGER1 (0.47)
SCHEMBL5585435 0.77 ALOX5 (0.42) MRGPRX4ALOX5LMNA
SCHEMBL5585573 0.76 CSNK2A1 (0.61) CSNK2A1
SCHEMBL5585726 0.75 HRH3 (0.48) MRE11MRGPRX4HRH3FFAR1CPT2
SCHEMBL5585514 0.75 HRH3 (0.48) MRGPRX4HRH3ALOX5FFAR1CPT2

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 MRE11 4833/4885CSNK2A1 124/4885MRGPRX4 748/4885

“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.