SCHEMBL13801044

SCHEMBL13801044

CN(C)C(=O)c1ccccc1N(C)S(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
TSHR P16473 3/20 0.56
L3MBTL1 Q9Y468 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
KEAP1 Q14145 1/20 0.46

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
SCHEMBL30005605 0.84 KMT2A (0.68) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL9624386 0.84 KMT2A (0.68) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL222373 0.84 KMT2A (0.68) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL28002534 0.82 KMT2A (0.66) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL30006537 0.82 KMT2A (0.66) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL30006002 0.81 KMT2A (0.64) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL30004917 0.81 KMT2A (0.64) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL647372 0.79 KMT2A (1.00) KMT2ATSHRL3MBTL1NPSR1ALDH1A1
SCHEMBL16676775 0.79 ALDH1A1 (0.69) KMT2ATSHRALDH1A1POLBMEN1
SCHEMBL27468102 0.78 KMT2A (0.74) KMT2ATSHRL3MBTL1NPSR1ALDH1A1

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-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 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-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL KCNN3, CACNA1I, KCNN1 KMT2A 1231/4885TSHR 3290/4885L3MBTL1 587/4885

“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.