SCHEMBL5585531

SCHEMBL5585531

CC(C)c1ccc(CNc2ccc(-c3csc(N(CC4CCCCC4)c4ccc(C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.40
GIPR P48546 14/20 0.40
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL5585824 0.92 GCGR (0.40) GCGRGIPRALOX5PTGESMEN1
SCHEMBL5585770 0.88 GCGR (0.50) GCGRGIPR
SCHEMBL5585451 0.88 GCGR (0.45) GCGRGIPRALOX5PTGESMEN1
SCHEMBL5585478 0.81 MRE11 (0.39) GCGRGIPRMEN1ALDH1A1LMNA
SCHEMBL5585653 0.78 RAB9A (0.41) GCGRGIPRMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5585772 0.78 RAB9A (0.40) GCGRGIPRMEN1ALDH1A1LMNA
SCHEMBL5585688 0.78 RAB9A (0.40) GCGRGIPRMEN1ALDH1A1LMNA
SCHEMBL5585837 0.78 HDAC3 (0.48) GCGRGIPRALOX5PTGESMEN1
SCHEMBL5585652 0.77 GCGR (0.50) GCGRGIPRMAPT
SCHEMBL5585527 0.77 KDM4E (0.45) GCGRGIPRPTGESMEN1RAB9A

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 GCGR 317/4885GIPR 195/4885ALOX5 3048/4885

“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.