SCHEMBL5585446

SCHEMBL5585446

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(C)C[C@H]3CC[C@@H](c4ccccc4)CC3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
GCGR P47871 3/20 0.40
GIPR P48546 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
UCHL1 P09936 1/20 0.39
GSTO1 P78417 1/20 0.38
HTT P42858 2/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL5585471 1.00 CPB1 (0.43) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585441 1.00 CPB1 (0.43) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585552 0.87 CPB1 (0.41) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585909 0.87 CPB1 (0.41) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585382 0.87 GCGR (0.43) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585549 0.87 CPB1 (0.41) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585463 0.87 RXRA (0.43) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5585392 0.86 RXRA (0.42) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL6000638 0.86 RXRA (0.42) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL5585448 0.85 RXRA (0.41) CPB1MEN1KMT2AL3MBTL1SMN1; SMN2

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 1778/4885MEN1 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.