SCHEMBL5585572

SCHEMBL5585572

CC(C)(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
DEGS1 O15121 1/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
KDM4E B2RXH2 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5585534 0.84 RAB9A (0.52) RAB9ANPC1KDM4ENFKB1NFKB2
SCHEMBL5585937 0.83 MEN1 (0.64) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5585846 0.82 RXRA (0.49) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6000463 0.81 HDAC3 (0.51) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5585697 0.81 HDAC3 (0.51) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL6000469 0.81 HDAC8 (0.53) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5585410 0.81 HDAC3 (0.53) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5585928 0.80 HDAC3 (0.52) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5585589 0.80 HDAC3 (0.49) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL5585498 0.79 MAPT (0.60) HDAC3HDAC8HDAC6RAB9ANPC1

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 HDAC3 1288/4885HDAC11 500/4885HDAC8 1266/4885

“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.