SCHEMBL5585482

SCHEMBL5585482

CC(C)N(Cc1ccccc1-c1nnn[nH]1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
PRMT5 O14744 8/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALOX5 P09917 3/20 0.31
MAPT P10636 1/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5585762 0.90 FFAR1 (0.38) FFAR1PRMT5ADRB1ADRB3HRH3
SCHEMBL5585863 0.87 FFAR1 (0.36) FFAR1PRMT5ADRB1ADRB3HRH3
SCHEMBL5585329 0.82 FFAR1 (0.38) FFAR1PRMT5ADRB1ADRB3HRH3
SCHEMBL5585855 0.82 FFAR1 (0.41) FFAR1HRH3ALOX5MAPTMEN1
SCHEMBL5585411 0.77 FFAR1 (0.44) FFAR1HRH3ALOX5MEN1HTT
SCHEMBL5585432 0.75 MRGPRX4 (0.51) FFAR1HRH3ALOX5MEN1HTT
SCHEMBL5585812 0.70 MEN1 (0.40) FFAR1HRH3ALOX5MEN1HTT
SCHEMBL5585457 0.69 FFAR1 (0.44) FFAR1HRH3ALOX5NPC1ALDH1A1
SCHEMBL5585658 0.69 KMT2A (0.46) FFAR1HRH3ALOX5MAPTMEN1
SCHEMBL5585524 0.69 FFAR1 (0.44) FFAR1HRH3ALOX5NPC1ALDH1A1

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 FFAR1 868/4885PRMT5 286/4885ADRB1 849/4885

“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.