SCHEMBL13593293

SCHEMBL13593293

O=C(O)CCCc1cccc(NC(=O)c2ccccc2I)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NR1H4 Q96RI1 9/20 0.54
PPARD Q03181 7/20 0.54
PPARG P37231 6/20 0.54
PPARA Q07869 6/20 0.54
ALOX15 P16050 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL13814814 0.86 MEN1 (0.63) MEN1KMT2ATDP1NR1H4ALOX15
SCHEMBL13593288 0.85 F2R (0.57) MEN1KMT2ANR1H4PPARDPPARG
SCHEMBL10973331 0.83 ITGB3 (0.64) MEN1KMT2ANR1H4PPARDPPARG
SCHEMBL31661819 0.82 ALOX15 (0.64) MEN1KMT2ANR1H4PPARDPPARG
SCHEMBL5668315 0.82 ALOX15 (0.64) MEN1KMT2ANR1H4PPARDPPARG
SCHEMBL13593290 0.81 ITGB3 (0.62) KMT2ANR1H4PPARDPPARGPPARA
SCHEMBL23367850 0.80 MEN1 (0.62) MEN1KMT2ATDP1RXFP1HDAC3
SCHEMBL13593303 0.80 ITGB3 (0.55) KMT2ANR1H4PPARDPPARGPPARA
SCHEMBL5718041 0.78 ALOX15 (0.72) MEN1KMT2ANR1H4PPARDPPARG
SCHEMBL15295153 0.77 MEN1 (0.67) MEN1KMT2AITGB3ITGA2BHDAC3

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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP MEN1 2174/4885KMT2A 4430/4885TDP1 3031/4885

“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.