SCHEMBL10042006

SCHEMBL10042006

COc1ccc(-c2cnoc2-c2ccc(OC(C)C)cc2COBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH2 P05091 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
GFER P55789 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
SCHEMBL738024 0.84 KMT2A (0.57) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL761932 0.82 KMT2A (0.48) KMT2AMEN1HPGDRAB9APTGS2
SCHEMBL739340 0.78 MEN1 (0.45) KMT2AMEN1LMNAMAPTHTT
SCHEMBL740850 0.77 MEN1 (0.44) KMT2AMEN1
SCHEMBL739570 0.77 MEN1 (0.44) KMT2AMEN1
SCHEMBL22672253 0.71 KMT2A (0.62) KMT2AMEN1LMNAMAPTHSD17B10
SCHEMBL30203914 0.71 KMT2A (0.62) KMT2AMEN1LMNAMAPTHSD17B10
SCHEMBL10042008 0.71 MEN1 (0.43) KMT2AMEN1RAB9ATUBB4ATUBB
SCHEMBL740901 0.71 PTPN1 (0.49) KMT2AMEN1MAPT
SCHEMBL737423 0.70 PTPN1 (0.49) KMT2AMEN1MAOAMAOB

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 KMT2A 2590/4885MEN1 563/4885LMNA 4679/4885

“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.