SCHEMBL5585769

SCHEMBL5585769

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MCHR1 Q99705 2/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BLM P54132 2/20 0.41
POLB P06746 1/20 0.41
GPR35 Q9HC97 1/20 0.41
DEGS1 O15121 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
PTPN7 P35236 1/20 0.40

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
SCHEMBL5585459 0.89 HDAC3 (0.48) HDAC3HDAC11HDAC8HDAC6MCHR1
SCHEMBL5585264 0.87 MAPT (0.49) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL5585701 0.86 RAB9A (0.53) NPC1RAB9AMEN1KMT2ACPT2
SCHEMBL5585310 0.83 TRPV1 (0.43) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5585763 0.83 ALDH1A1 (0.47) HDAC8HDAC6NPC1RAB9AMEN1
SCHEMBL5585428 0.83 MAPT (0.44) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL5585817 0.82 HDAC3 (0.45) HDAC3HDAC11HDAC8HDAC6MCHR1
SCHEMBL5585569 0.82 MAPT (0.44) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL5585457 0.82 FFAR1 (0.44) NPC1RAB9APOLBCPT2CPT1A
SCHEMBL5585637 0.82 HDAC3 (0.43) HDAC3HDAC11HDAC8HDAC6MCHR1

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.