SCHEMBL739340

SCHEMBL739340

COc1ccc(-c2cnoc2-c2ccc(OC(C)C)cc2OCCCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SYK P43405 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
PTPN1 P18031 7/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL740850 0.99 MEN1 (0.44) MEN1KMT2ASYKSIRT2PTPN1
SCHEMBL739570 0.99 MEN1 (0.44) MEN1KMT2ASYKSIRT2PTPN1
SCHEMBL740901 0.85 PTPN1 (0.49) MEN1KMT2APTPN1MAPT
SCHEMBL737423 0.84 PTPN1 (0.49) MEN1KMT2APTPN1
SCHEMBL739344 0.84 PTPN1 (0.49) MEN1KMT2APTPN1
SCHEMBL739605 0.84 PTPN1 (0.50) MEN1KMT2APTPN1MAPT
SCHEMBL739297 0.83 PTPN1 (0.47) MEN1KMT2APTPN1TP53SMN1; SMN2
SCHEMBL738341 0.83 PTPN1 (0.49) PTPN1MAPT
SCHEMBL738158 0.83 PTPN1 (0.49) PTPN1MAPT
SCHEMBL740876 0.82 PTPN1 (0.47) MEN1KMT2APTPN1TP53SMN1; SMN2

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 6 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-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
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 MEN1 563/4885KMT2A 2590/4885SYK 919/4885

“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.