SCHEMBL740901

SCHEMBL740901

COc1ccc(-c2cnoc2-c2ccc(OC(C)C)cc2OCCCCN2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.49
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 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
SCHEMBL737423 0.99 PTPN1 (0.49) PTPN1HRH3KCNH2MEN1KMT2A
SCHEMBL739344 0.99 PTPN1 (0.49) PTPN1HRH3KCNH2MEN1KMT2A
SCHEMBL739605 0.99 PTPN1 (0.50) PTPN1HRH3KCNH2MEN1KMT2A
SCHEMBL738341 0.98 PTPN1 (0.49) PTPN1HRH3KCNH2POLBMAPT
SCHEMBL738158 0.98 PTPN1 (0.49) PTPN1HRH3KCNH2POLBMAPT
SCHEMBL739297 0.93 PTPN1 (0.47) PTPN1MEN1KMT2A
SCHEMBL740876 0.92 PTPN1 (0.47) PTPN1MEN1KMT2A
SCHEMBL739352 0.92 PTPN1 (0.47) PTPN1MEN1KMT2A
SCHEMBL740385 0.92 TLR9 (0.42) PTPN1HRH3MEN1KMT2A
SCHEMBL739307 0.91 TLR9 (0.41) PTPN1HRH3MEN1KMT2A

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 PTPN1 1357/4885HRH3 4/4885KCNH2 1534/4885

“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.