SCHEMBL30456633

SCHEMBL30456633

[2H]C([2H])([2H])n1ncc(S(=O)(=O)Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM5 P08912 8/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
MTOR P42345 1/20 0.31
KAT2B Q92831 1/20 0.30

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
SCHEMBL24309342 0.86 ALDH1A1 (0.40) ALDH1A1MAPTRAB9ANPSR1CHRM5
SCHEMBL30456400 0.81 NLRP3 (0.34) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL30457542 0.75 CHRM5 (0.33) ALDH1A1MAPTRAB9ANPSR1CHRM5
SCHEMBL1501094 0.71 GAA (0.41) ALDH1A1MAPTRAB9ANPSR1CHRM5
SCHEMBL30456708 0.70 ALDH1A1 (0.32) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL9202916 0.69 ALDH1A1 (0.39) ALDH1A1MAPTRAB9ANPSR1CHRM5
SCHEMBL22531650 0.69 ALDH1A1 (0.36) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL25240029 0.69 MTOR (0.39) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL30456207 0.67 ALDH1A1 (0.33) ALDH1A1MAPTRAB9ANPSR1MTOR
SCHEMBL25236041 0.67 ALDH1A1 (0.32) ALDH1A1MAPTRAB9ANPSR1KAT2B

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 ALDH1A1 622/4885MAPT 2286/4885RAB9A 1907/4885

“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.