SCHEMBL763401

SCHEMBL763401

CCCC(Oc1cc(OC(C)C)ccc1-c1oncc1-c1ccc(OC)cc1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACVR1 Q04771 12/20 0.36
TGFBR1 P36897 7/20 0.35
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
ACVR1B P36896 2/20 0.33
KCNH2 Q12809 2/20 0.33
BMPR1B O00238 1/20 0.33
ABL1 P00519 1/20 0.33
ADRA2A P08913 1/20 0.33
CNR1 P21554 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
DDR1 Q08345 1/20 0.33
PTK6 Q13882 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
MAP3K20 Q9NYL2 1/20 0.33
NLK Q9UBE8 1/20 0.33

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
SCHEMBL763875 0.93 MEN1 (0.39) MEN1KMT2AACVR1TGFBR1HTR1A
SCHEMBL10042008 0.92 MEN1 (0.43) MEN1KMT2AMDM2
SCHEMBL10041941 0.91 MEN1 (0.43) MEN1KMT2AMDM2
SCHEMBL10041985 0.90 MEN1 (0.42) MEN1KMT2AACVR1TGFBR1MDM2
SCHEMBL764515 0.85 MEN1 (0.41) MEN1KMT2AMDM2CYP3A4CYP2C9
SCHEMBL763877 0.85 MEN1 (0.40) MEN1KMT2AMDM2CYP3A4CYP2C9
SCHEMBL764918 0.84 MEN1 (0.40) MEN1KMT2AACVR1TGFBR1KCNH2
SCHEMBL740385 0.79 TLR9 (0.42) MEN1KMT2AACVR1TGFBR1HTR1A
SCHEMBL739307 0.79 TLR9 (0.41) MEN1KMT2AACVR1TGFBR1HTR1A
SCHEMBL740425 0.79 TLR9 (0.41) MEN1KMT2AACVR1TGFBR1HTR1A

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 2 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-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 2590/4885ACVR1 294/4885

“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.