SCHEMBL25555331

SCHEMBL25555331

CCc1cc[n+](Cc2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CHKA P35790 7/20 0.36
BCHE P06276 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL91155 0.79
Ammonia Solution, Strong SCHEMBL15467922 0.77
SCHEMBL27891094 0.77
SCHEMBL27968336 0.74 DRD2 (0.44) DRD2DRD3TAAR1ALDH1A1MEN1
SCHEMBL19497607 0.73 CHKA (0.61) ACHECHKABCHE
SCHEMBL19504055 0.73 CHKA (0.66) ACHECHKABCHE
Dimethylamine SCHEMBL7216210 0.73 DRD2 (0.47) DRD2DRD3TAAR1ALDH1A1RAB9A
Bromide SCHEMBL19468820 0.72 CHKA (0.64) ACHECHKABCHE
Bromide SCHEMBL19468768 0.72 CHKA (0.69) ACHECHKABCHE
SCHEMBL5304667 0.71 TP53 (0.64) ACHECHKABCHEALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2023-06-08 US disclosed
US-20230174475-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2023-06-08 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 (3 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-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors ALDH1A1, ADH1A, ALDH3A1 ACHE 2616/4885DRD2 726/4885DRD3 771/4885
US-20230174475-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS ADH1A, ALDH1A1, ALDH3A1 ACHE 2341/4885DRD2 663/4885DRD3 970/4885
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS ALDH1A1, ADH1A, ALDH3A1 ACHE 2616/4885DRD2 726/4885DRD3 771/4885

“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.