SCHEMBL15840674

SCHEMBL15840674

COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccccc3)cc2)nc(OC)n1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
KMT2A Q03164 8/20 0.73
MEN1 O00255 4/20 0.73
ALOX12 P18054 4/20 0.73
POLB P06746 2/20 0.72
MAPT P10636 2/20 0.69
CHIA Q9BZP6 1/20 0.66
KDM4E B2RXH2 1/20 0.64
GAA P10253 1/20 0.62
AKT1 P31749 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL15840697 0.85 ALDH1A1 (0.88) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453557 0.85 KMT2A (1.00) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453514 0.84 KMT2A (0.78) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453465 0.84 KMT2A (0.70) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453484 0.83 KMT2A (0.75) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL15840600 0.83 MEN1 (0.75) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453538 0.82 KMT2A (0.90) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453470 0.81 KMT2A (0.65) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453494 0.81 KMT2A (0.70) ALDH1A1KMT2AMEN1ALOX12POLB
SCHEMBL13453469 0.81 KMT2A (0.79) ALDH1A1KMT2AMEN1ALOX12POLB

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 ALDH1A1 4348/4885KMT2A 3667/4885MEN1 3121/4885

“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.