SCHEMBL2397595

SCHEMBL2397595

CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
C5AR1 P21730 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
HSD11B1 P28845 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL12201360 0.85 GAA (0.59) GAANPSR1ALDH1A1HTTMAPT
SCHEMBL28002534 0.81 KMT2A (0.66) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25221412 0.81 GAA (0.76) GAANPSR1ALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL30004917 0.80 KMT2A (0.64) NPSR1ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL30006002 0.80 KMT2A (0.64) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25218568 0.78 ALDH1A1 (0.58) GAANPSR1ALDH1A1HTTMAPT
SCHEMBL6467738 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3351370 0.76 KMT2A (0.44) GAANPSR1ALDH1A1MAPTMEN1
SCHEMBL2762268 0.76 MAPT (0.46) GAANPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3260769 0.76 C5AR1 (0.58) GAANPSR1ALDH1A1HTTMAPT

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-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 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-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS DOCK5, ARHGDIB, ARHGDIA GAA 2337/4885NPSR1 4672/4885ALDH1A1 3992/4885

“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.