SCHEMBL5585408

SCHEMBL5585408

CN(Cc1ccc(C(=O)OCOC(=O)C(C)(C)C)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
FFAR1 O14842 2/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL5585746 0.93 HRH3 (0.39) L3MBTL1MAPTHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585910 0.90 KMT2A (0.41) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585530 0.89 LMNA (0.42) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585634 0.88 MEN1 (0.40) L3MBTL1MAPTHRH3ALDH1A1SMN1; SMN2
SCHEMBL5999838 0.87 HRH3 (0.44) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585466 0.87 HRH3 (0.44) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5585627 0.86 HRH3 (0.44) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585509 0.86 HRH3 (0.44) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585799 0.86 HRH3 (0.44) MAPTRAB9AHRH3ALDH1A1SMN1; SMN2
SCHEMBL5585787 0.86 HRH3 (0.39) MAPTHRH3ALDH1A1SMN1; SMN2FFAR1

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 L3MBTL1 2360/4885MAPT 4536/4885RAB9A 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.