SCHEMBL5585508

SCHEMBL5585508

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(Cc3ccccc3)Cc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
GCGR P47871 3/20 0.41
GIPR P48546 3/20 0.41
DHODH Q02127 1/20 0.39
GSTO1 P78417 1/20 0.39
STAT3 P40763 5/20 0.39
STAT1 P42224 1/20 0.39
STAT5B P51692 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HTT P42858 1/20 0.39
MRE11 P49959 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
SCHEMBL5585392 0.92 RXRA (0.42) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6000638 0.92 RXRA (0.42) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5585535 0.92 GCGR (0.38) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5585241 0.91 RXRA (0.41) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5585528 0.91 RXRA (0.41) CPB1MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL5585448 0.91 RXRA (0.41) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5585463 0.91 RXRA (0.43) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5585343 0.91 GCGR (0.39) CPB1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL5585375 0.89 CPB1 (0.46) CPB1MEN1KMT2AL3MBTL1KDM4E
Sulfuric Acid SCHEMBL5585551 0.89 RXRA (0.40) CPB1MEN1KMT2AL3MBTL1KDM4E

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 3 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-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 1778/4885MEN1 3299/4885KMT2A 2589/4885

“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.