SCHEMBL15840600

SCHEMBL15840600

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)nc(OC)n1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.75
KMT2A Q03164 9/20 0.75
ALDH1A1 P00352 8/20 0.75
MAPT P10636 6/20 0.75
LMNA P02545 3/20 0.75
NPSR1 Q6W5P4 3/20 0.75
ALOX12 P18054 4/20 0.68
POLB P06746 2/20 0.67
TDP1 Q9NUW8 1/20 0.66
CHIA Q9BZP6 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
KDM4E B2RXH2 1/20 0.64
GAA P10253 2/20 0.64
HTT P42858 1/20 0.64

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 0.92 MEN1 (0.75) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15840608 0.92 MEN1 (0.77) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15840592 0.90 ALOX12 (0.69) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15840623 0.87 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL15840675 0.86 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13453557 0.85 KMT2A (1.00) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL15840674 0.83 ALDH1A1 (0.78) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL13453538 0.82 KMT2A (0.90) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL13453469 0.81 KMT2A (0.79) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL13453495 0.81 KMT2A (0.79) MEN1KMT2AALDH1A1MAPTALOX12

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.