SCHEMBL5585929

SCHEMBL5585929

O=C(O)c1ccc(Nc2nc(-c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX5 P09917 1/20 0.49
PTPN1 P18031 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MRE11 P49959 1/20 0.45
AMY1A P0DUB6 1/20 0.45
TYR P14679 1/20 0.45
VCP P55072 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
PTPN7 P35236 1/20 0.44

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
SCHEMBL5585573 0.90 CSNK2A1 (0.61) CSNK2A1NPC1RAB9AMAPTMEN1
SCHEMBL5585386 0.90 CPT1A (0.46) CSNK2A1NPC1RAB9AMAPTMEN1
SCHEMBL5585526 0.88 CSNK2A1 (0.44) CSNK2A1NPC1RAB9AMAPTMEN1
SCHEMBL6000178 0.86 HRH3 (0.44) CSNK2A1NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL5585420 0.85 CSNK2A1 (0.46) CSNK2A1NPC1RAB9AMAPTMEN1
SCHEMBL5585565 0.85 CSNK2A1 (0.71) CSNK2A1NPC1RAB9AMAPTMEN1
SCHEMBL5585514 0.85 HRH3 (0.48) NPC1RAB9ASMN1; SMN2ALOX5PTPN1
SCHEMBL5585726 0.85 HRH3 (0.48) NPC1RAB9ASMN1; SMN2PTPN1HRH3
SCHEMBL5585882 0.84 HRH3 (0.47) NPC1RAB9ASMN1; SMN2PTPN1HRH3
SCHEMBL5585872 0.84 HRH3 (0.47) NPC1RAB9ASMN1; SMN2PTPN1HRH3

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 CSNK2A1 124/4885NPC1 1217/4885RAB9A 1736/4885

“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.