SCHEMBL5585375

SCHEMBL5585375

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(Cc3ccccc3)CC3CCCCC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.46
PTGES O14684 4/20 0.45
ALOX5 P09917 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
GCGR P47871 3/20 0.42
GIPR P48546 3/20 0.42
GSTO1 P78417 1/20 0.40
HTT P42858 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5585683 0.91 GCGR (0.47) PTGESKMT2AMEN1KDM4EGCGR
SCHEMBL5585508 0.89 CPB1 (0.45) CPB1KMT2AMEN1L3MBTL1NPC1
SCHEMBL5585685 0.84 KDM4E (0.45) CPB1PTGESALOX5KMT2AMEN1
SCHEMBL5585471 0.83 CPB1 (0.43) CPB1PTGESALOX5KMT2AMEN1
SCHEMBL5585446 0.83 CPB1 (0.43) CPB1PTGESALOX5KMT2AMEN1
SCHEMBL5585441 0.83 CPB1 (0.43) CPB1PTGESALOX5KMT2AMEN1
SCHEMBL5585535 0.82 GCGR (0.38) CPB1KMT2AMEN1L3MBTL1NPC1
SCHEMBL6000638 0.82 RXRA (0.42) CPB1KMT2AMEN1L3MBTL1NPC1
SCHEMBL5585392 0.82 RXRA (0.42) CPB1KMT2AMEN1L3MBTL1NPC1
SCHEMBL5585343 0.82 GCGR (0.39) CPB1KMT2AMEN1L3MBTL1NPC1

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 CPB1 1778/4885PTGES 4468/4885ALOX5 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.