SCHEMBL30828575

SCHEMBL30828575

CN(C)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
MAPT P10636 5/20 0.78
TDP1 Q9NUW8 3/20 0.78
LMNA P02545 3/20 0.78
GFER P55789 3/20 0.78
MAPK1 P28482 2/20 0.78
MCL1 Q07820 1/20 0.78
UCHL1 P09936 1/20 0.60
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
UQCRB P14927 2/20 0.54
NPY5R Q15761 2/20 0.54
CA9 Q16790 1/20 0.53
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL8280452 0.92 LMNA (0.68) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL14018736 0.92 ALDH1A1 (0.91) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL8279538 0.88 ALDH1A1 (0.62) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL2832955 0.86 MAPT (0.73) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL28032113 0.86 ALDH1A1 (0.73) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL5718766 0.86 ALDH1A1 (0.73) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL8752441 0.83 ALDH1A1 (0.72) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL13987950 0.81 HDAC3 (0.70)
SCHEMBL4883342 0.81 ALDH1A1 (0.57) ALDH1A1MAPTTDP1LMNAGFER
SCHEMBL15482206 0.80 HDAC6 (0.68) ALDH1A1MAPTTDP1LMNAGFER

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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 ALDH1A1 2841/4885MAPT 3344/4885TDP1 2698/4885

“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.