SCHEMBL740385

SCHEMBL740385

COc1ccc(-c2cnoc2-c2ccc(OC(C)C)cc2OCCCCN2CCNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
PTPN1 P18031 5/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TGFBR1 P36897 1/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ACVR1 Q04771 1/20 0.38

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
SCHEMBL740425 0.99 TLR9 (0.41) TLR9TLR7PTPN1MEN1KMT2A
SCHEMBL739307 0.99 TLR9 (0.41) TLR9TLR7PTPN1MEN1KMT2A
SCHEMBL740901 0.92 PTPN1 (0.49) PTPN1MEN1KMT2AHRH3
SCHEMBL737423 0.91 PTPN1 (0.49) PTPN1MEN1KMT2AHRH3
SCHEMBL739605 0.91 PTPN1 (0.50) PTPN1MEN1KMT2AHRH3
SCHEMBL739344 0.91 PTPN1 (0.49) PTPN1MEN1KMT2AHRH3
SCHEMBL738158 0.90 PTPN1 (0.49) PTPN1HRH3
SCHEMBL738341 0.90 PTPN1 (0.49) PTPN1HRH3
SCHEMBL739297 0.90 PTPN1 (0.47) TLR9TLR7PTPN1MEN1KMT2A
SCHEMBL740876 0.90 PTPN1 (0.47) TLR9TLR7PTPN1MEN1KMT2A

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-8138184-B2 Isoxazole derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-03-20 US disclosed
US-8138184-B2 Isoxazole derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-03-20 US disclosed
US-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-27 US disclosed
US-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-27 US 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-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME TBXA2R, F12, PTH1R TLR9 1299/4885TLR7 1309/4885PTPN1 1357/4885

“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.