SCHEMBL15840608

SCHEMBL15840608

COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.77
KMT2A Q03164 11/20 0.77
ALDH1A1 P00352 10/20 0.77
MAPT P10636 4/20 0.77
TDP1 Q9NUW8 2/20 0.77
GAA P10253 3/20 0.75
ALOX12 P18054 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
NPSR1 Q6W5P4 4/20 0.65
LMNA P02545 3/20 0.65
CHIA Q9BZP6 1/20 0.65
HPGD P15428 2/20 0.64
HTT P42858 1/20 0.64
POLB P06746 1/20 0.62
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL15840534 0.93 MEN1 (0.75) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL15840600 0.92 MEN1 (0.75) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL15840592 0.91 ALOX12 (0.69) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL13470358 0.85 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL15840623 0.84 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL15840522 0.84 KMT2A (0.75) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL15840627 0.83 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL13469717 0.80 KMT2A (0.87) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL15840697 0.79 ALDH1A1 (0.88) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL13469959 0.79 KMT2A (0.84) MEN1KMT2AALDH1A1MAPTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MEN1 3121/4885KMT2A 3667/4885ALDH1A1 4348/4885

“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.