SCHEMBL5585855

SCHEMBL5585855

CC(C)N(Cc1ccccc1C(=O)O)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
DHODH Q02127 1/20 0.40
PTPN1 P18031 2/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
HTT P42858 1/20 0.39
ALOX5 P09917 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.37
BRS3 P32247 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CPB1 P15086 1/20 0.37
PTPN2 P17706 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5585411 0.88 FFAR1 (0.44) FFAR1HRH3PTPN1KMT2AMEN1
SCHEMBL5585432 0.87 MRGPRX4 (0.51) FFAR1HRH3PTPN1KMT2AMEN1
SCHEMBL5585482 0.82 FFAR1 (0.35) FFAR1HRH3KMT2AMEN1HTT
SCHEMBL5585812 0.80 MEN1 (0.40) FFAR1HRH3KMT2AMEN1HTT
SCHEMBL5585457 0.80 FFAR1 (0.44) FFAR1HRH3PTPN1ALOX5MRGPRX4
SCHEMBL5585658 0.80 KMT2A (0.46) FFAR1HRH3PTPN1KMT2AMEN1
SCHEMBL5585524 0.79 FFAR1 (0.44) FFAR1HRH3PTPN1ALOX5MRGPRX4
SCHEMBL5999838 0.79 HRH3 (0.44) FFAR1HRH3PTPN1KMT2AMEN1
SCHEMBL5585466 0.79 HRH3 (0.44) FFAR1HRH3PTPN1KMT2AMEN1
SCHEMBL5585799 0.78 HRH3 (0.44) FFAR1HRH3PTPN1KMT2AMEN1

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 868/4885HRH3 840/4885DHODH 3144/4885

“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.