SCHEMBL5651180

SCHEMBL5651180

CCc1cc(-c2oncc2-c2ccc(Br)cc2)c(OC)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARA Q07869 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1168112 0.90 MEN1 (0.80) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL5651574 0.89 MEN1 (0.82) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL1167672 0.87 MEN1 (0.47) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL14474303 0.80 KMT2A (0.72) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL5653865 0.80 MEN1 (0.84) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL1168581 0.79 MEN1 (0.54) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL1167690 0.79 KMT2A (1.00) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL30078294 0.79 KMT2A (1.00) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL1168933 0.79 MEN1 (0.82) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL1167512 0.78 MEN1 (0.80) MEN1KMT2AMAPTNPSR1MAPK1

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-7250432-B2 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-31 US claimed
US-7250432-B2 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-31 US disclosed
WO-2006126751-A1 NEW DIARYL-ISOXAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME FOR THE PREVENTION AND THE TREATMENT OF CANCERS KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-11-30 WO disclosed
US-20050131036-A1 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-06-16 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-20050131036-A1 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers UACA, SQLE, ALDH1A2 MEN1 3914/4885KMT2A 4307/4885MAPT 1367/4885

“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.