SCHEMBL5585501

SCHEMBL5585501

CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1cccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CPB1 P15086 1/20 0.42
STAT3 P40763 15/20 0.42
STAT1 P42224 1/20 0.42
STAT5B P51692 1/20 0.42
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
PTPRS Q13332 3/20 0.41
USP30 Q70CQ3 1/20 0.39
GSTO1 P78417 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
SCHEMBL14601454 0.93 RXRA (0.42) MEN1KMT2AL3MBTL1CPB1STAT3
SCHEMBL5585312 0.92 RXRA (0.41) MEN1KMT2AL3MBTL1CPB1STAT3
SCHEMBL5585306 0.85 CPB1 (0.38) MEN1KMT2AL3MBTL1CPB1STAT3
SCHEMBL5585490 0.84 KMT2A (0.41) MEN1KMT2ACPB1STAT3USP30
SCHEMBL5585395 0.84 ALDH1A1 (0.41) MEN1KMT2AL3MBTL1CPB1USP30
SCHEMBL6000638 0.84 RXRA (0.42) MEN1KMT2AL3MBTL1CPB1STAT3
SCHEMBL5585392 0.84 RXRA (0.42) MEN1KMT2AL3MBTL1CPB1STAT3
Hydrochloric Acid SCHEMBL5585448 0.83 RXRA (0.41) MEN1KMT2AL3MBTL1CPB1STAT3
SCHEMBL5585241 0.83 RXRA (0.41) MEN1KMT2AL3MBTL1CPB1STAT3
SCHEMBL5585528 0.83 RXRA (0.41) MEN1KMT2AL3MBTL1CPB1STAT3

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 MEN1 3299/4885KMT2A 2589/4885L3MBTL1 2360/4885

“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.