SCHEMBL5585293

SCHEMBL5585293

CC(C)(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
NR4A2 P43354 2/20 0.50
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RXRG P48443 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALKBH1 Q13686 1/20 0.43
EIF4E P06730 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SLC26A4 O43511 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL5585544 0.87 NR4A2 (0.57) RXRARXRBNR4A2KDM4ERAB9A
SCHEMBL5585846 0.81 RXRA (0.49) RXRARXRBNR4A2KDM4ERAB9A
SCHEMBL5585892 0.80 NPC1 (0.49) RXRARXRBNR4A2KDM4ERAB9A
SCHEMBL5585418 0.80 CSNK2A1 (0.62) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL5585797 0.78 KDM4E (0.47) RXRARXRBNR4A2KDM4ERAB9A
SCHEMBL5585686 0.78 KMT2A (0.47) RXRARXRBNR4A2KDM4ERAB9A
SCHEMBL5585721 0.77 KMT2A (0.46) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL5585454 0.76 RXRA (0.64) RXRARXRBNR4A2KDM4ERAB9A
SCHEMBL366521 0.76 NR4A2 (0.69) RXRARXRBNR4A2RAB9ANPC1
SCHEMBL5585430 0.76 MEN1 (0.48) KDM4ERAB9ANPC1MEN1KMT2A

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 RXRA 582/4885RXRB 427/4885NR4A2 895/4885

“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.