SCHEMBL5585645

SCHEMBL5585645

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2cccc(NC(=O)c3ccc(C4CCCCC4)cc3)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.43
GIPR P48546 5/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
NAMPT P43490 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM1A O60341 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL5585665 0.91 HDAC3 (0.46) GCGRGIPRMAPTNPC1RAB9A
SCHEMBL5585675 0.89 ALDH1A1 (0.53) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL5585812 0.85 MEN1 (0.40) NPC1RAB9ANPSR1SMN1; SMN2HTT
SCHEMBL5585557 0.81 LIMK2 (0.46) MAPTNPSR1SMN1; SMN2KDM4EMEN1
SCHEMBL5585395 0.81 ALDH1A1 (0.41) GCGRGIPRMAPTSMN1; SMN2KDM4E
SCHEMBL5585850 0.80 MEN1 (0.54) GCGRGIPRMAPTNPC1RAB9A
SCHEMBL5999050 0.80 HDAC3 (0.48) GCGRGIPRMAPTNPC1RAB9A
SCHEMBL5585890 0.80 MRE11 (0.38) GAARAB9AHTTKDM4EMEN1
SCHEMBL5585411 0.80 FFAR1 (0.44) NPC1RAB9ANPSR1SMN1; SMN2HTT
SCHEMBL5585916 0.80 TRPM8 (0.41) MEN1KMT2AOPRM1OPRK1

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 GCGR 317/4885GIPR 195/4885MAPT 4536/4885

“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.