SCHEMBL20693672

SCHEMBL20693672

NCC(CS)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.56
GABBR1 Q9UBS5 6/20 0.56
LMNA P02545 4/20 0.56
TSHR P16473 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 2/20 0.56
THRB P10828 2/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
NFKB1 P19838 1/20 0.56
DRD3 P35462 1/20 0.56
BLM P54132 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL20694143 1.00 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL10507284 0.86 GABBR2 (0.64) GABBR2GABBR1LMNATSHRCYP2C9
Hydrochloric Acid SCHEMBL10681987 0.84 GABBR2 (0.62) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL6278627 0.78 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL19803214 0.78 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL19803301 0.78 GABBR2 (0.56) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL7396004 0.78 GABBR2 (0.61) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL9779274 0.78 GABBR2 (0.61) GABBR2GABBR1LMNATSHRCYP2C9
SCHEMBL11436391 0.77 GABBR2 (0.55) GABBR2GABBR1SLC6A4SLC6A3TAAR1
SCHEMBL24878696 0.75 GABBR2 (0.53) GABBR2GABBR1LMNATSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177330-A1 Use of Thiol Compounds to Treat Neurological Disease MERCAPTOR DISCOVERIES, INC. 2025-06-05 US disclosed
US-12128014-B2 Use of thiol compounds to treat neurological disease MERCAPTOR DISCOVERIES, INC. (US) 2024-10-29 US disclosed
EP-3615013-B1 THIOL COMPOUNS FOR TREATING ACUTE TRAUMATIC BRAIN INJURY MERCAPTOR DISCOVERIES INC (US) 2024-08-14 EP disclosed
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2023-04-13 US disclosed
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2023-04-13 US disclosed
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2021-03-11 US disclosed
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2021-03-11 US disclosed
CN-110996929-A Treatment of neurological disorders with thiol compounds 麦凯特探索公司 2020-04-10 CN disclosed
EP-3615013-A1 USE OF THIOL COMPOUNDS TO TREAT NEUROLOGICAL DISEASE Mercaptor Discoveries, Inc. (US) 2020-03-04 EP disclosed
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2019-01-31 US disclosed
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2019-01-31 US disclosed
WO-2018200527-A1 USE OF THIOL COMPOUNDS TO TREAT NEUROLOGICAL DISEASE MERCAPTOR DISCOVERIES, INC. (US) 2018-11-01 WO 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 (5 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-12128014-B2 Use of thiol compounds to treat neurological disease TST, NLN, SLC7A11 GABBR2 620/4885GABBR1 677/4885LMNA 4730/4885
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 GABBR2 620/4885GABBR1 677/4885LMNA 4730/4885
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 GABBR2 620/4885GABBR1 677/4885LMNA 4730/4885
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 GABBR2 620/4885GABBR1 677/4885LMNA 4730/4885
US-20250177330-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 GABBR2 620/4885GABBR1 677/4885LMNA 4730/4885

“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.