SCHEMBL5585763

SCHEMBL5585763

CC(C)N(c1ccc(OCC(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 8/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5585264 0.93 MAPT (0.49) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL14601435 0.89 LMNA (0.53) ALDH1A1LMNAHDAC8HDAC6MAPT
Hydrochloric Acid SCHEMBL5585774 0.89 LMNA (0.52) ALDH1A1LMNAHDAC8HDAC6MAPT
SCHEMBL5585310 0.84 TRPV1 (0.43) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL5585769 0.83 HDAC3 (0.43) ALDH1A1LMNAKMT2AMEN1HDAC8
SCHEMBL14601437 0.83 MAPT (0.53) ALDH1A1LMNAKMT2AMEN1HDAC8
SCHEMBL14601444 0.82 LMNA (0.49) ALDH1A1LMNAKMT2AHDAC8HDAC6
SCHEMBL5585428 0.82 MAPT (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL5585439 0.82 MAPT (0.52) ALDH1A1LMNAKMT2AMEN1HDAC8
SCHEMBL14601438 0.82 MAPT (0.48) ALDH1A1LMNAKMT2AMEN1MAPT

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 ALDH1A1 2229/4885LMNA 4756/4885KMT2A 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.