SCHEMBL5585329

SCHEMBL5585329

CC(C)N(c1ccc(-c2nnn[nH]2)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.38
ALOX5 P09917 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PRMT5 O14744 8/20 0.32
MRE11 P49959 1/20 0.32
ENPP2 Q13822 1/20 0.32

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 0.89 FFAR1 (0.38) FFAR1ALOX5HRH3ADRB1ADRB3
SCHEMBL5585863 0.84 FFAR1 (0.36) FFAR1ALOX5HRH3ADRB1ADRB3
SCHEMBL5585457 0.83 FFAR1 (0.44) FFAR1ALOX5HRH3PTPN2PTPN1
SCHEMBL5585524 0.83 FFAR1 (0.44) FFAR1ALOX5HRH3PTPN2PTPN1
SCHEMBL5585482 0.82 FFAR1 (0.35) FFAR1ALOX5HRH3ADRB1ADRB3
SCHEMBL5585522 0.82 FFAR1 (0.42) FFAR1ALOX5HRH3PTPN2PTPN1
SCHEMBL5585637 0.80 HDAC3 (0.43)
SCHEMBL5585783 0.75 MRGPRX4 (0.39) FFAR1ALOX5HRH3PTPN1
SCHEMBL5585571 0.73 HRH3 (0.44) FFAR1ALOX5HRH3PTPN1ENPP2
SCHEMBL6000173 0.73 HRH3 (0.44) FFAR1ALOX5HRH3PTPN1ENPP2

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 868/4885ALOX5 3048/4885HRH3 840/4885

“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.