SCHEMBL5585428

SCHEMBL5585428

CC(C)N(c1ccc(OCC(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PTPN12 Q05209 2/20 0.44
PTPN22 Q9Y2R2 2/20 0.44
PKM P14618 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
BLM P54132 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARD Q03181 1/20 0.41
NFKB1 P19838 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
SCHEMBL5585569 0.88 MAPT (0.44) MAPTNPC1KDM4EKMT2AMEN1
SCHEMBL5585769 0.83 HDAC3 (0.43) MAPTNPC1KDM4EPTPN12PTPN22
SCHEMBL5585264 0.83 MAPT (0.49) MAPTNPC1KDM4EPKMMCL1
SCHEMBL5585763 0.82 ALDH1A1 (0.47) MAPTNPC1KDM4EPKMKMT2A
SCHEMBL5585310 0.81 TRPV1 (0.43) MAPTNPC1KDM4EPTPN12PTPN22
SCHEMBL5585701 0.80 RAB9A (0.53) MAPTNPC1PKMDUSP3KMT2A
SCHEMBL5585414 0.76 NFKB1 (0.58) MAPTNPC1KDM4EKMT2AMEN1
SCHEMBL5585797 0.72 KDM4E (0.47) NPC1KDM4EKMT2AMEN1RAB9A
SCHEMBL5585459 0.70 HDAC3 (0.48) MAPTNPC1KDM4EKMT2AMEN1
SCHEMBL14601438 0.70 MAPT (0.48) MAPTNPC1KDM4EPKMMCL1

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 MAPT 4536/4885NPC1 1217/4885KDM4E 1482/4885

“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.