SCHEMBL30456400

SCHEMBL30456400

[2H]C([2H])([2H])n1ncc(S(=O)(=O)Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MTOR P42345 1/20 0.31
NMT1 P30419 1/20 0.31

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
SCHEMBL1501094 0.86 GAA (0.41) NLRP3GAAALDH1A1MAPTRAB9A
SCHEMBL30456633 0.81 ALDH1A1 (0.34) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL30457542 0.75 CHRM5 (0.33) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL24309342 0.71 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL31180523 0.70 ALDH1A1 (0.43) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL19692964 0.70 TDP1 (0.48) GAAALDH1A1MAPTRAB9A
SCHEMBL30456708 0.70 ALDH1A1 (0.32) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL22531650 0.69 ALDH1A1 (0.36) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL25240029 0.69 MTOR (0.39) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL25231994 0.69 TRPV4 (0.32)

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 NLRP3 2744/4885GAA 4089/4885ALDH1A1 622/4885

“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.