SCHEMBL21774181

SCHEMBL21774181

O=Cc1ccc(-c2cnc(C3CC3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.40
BACE1 P56817 1/20 0.35
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A3 Q01959 7/20 0.35
MAP4K3 Q8IVH8 4/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CTSC P53634 1/20 0.33
BRD4 O60885 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DRD1 P21728 1/20 0.33
MAP4K4 O95819 1/20 0.32
GCK P35557 1/20 0.32
MAP4K1 Q92918 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32

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
SCHEMBL21774151 0.80 CSNK2A1 (0.41) QPCTBACE1CTSCCSNK2A1
SCHEMBL2403445 0.79 SLC6A2 (0.47) QPCTSLC6A2SLC6A4SLC6A3MAP4K3
SCHEMBL20924228 0.79 HSD17B1 (0.47) QPCTSLC6A2SLC6A4SLC6A3MAP4K3
SCHEMBL21774262 0.76 CSNK2A1 (0.43) QPCTBRD4CSNK2A1
SCHEMBL21774242 0.75 EGLN2 (0.40) QPCTMAP4K3TLR9TLR8TLR7
SCHEMBL21774172 0.73 CHRM2 (0.37) QPCTBRD4DRD1
SCHEMBL21774264 0.73 AOC3 (0.45) BRD4CSNK2A1DRD1
SCHEMBL26255820 0.72 KDR (0.44) SLC6A2SLC6A4SLC6A3MAP4K3
SCHEMBL20500609 0.71 MAP4K4 (0.45) QPCTBACE1SLC6A2SLC6A4SLC6A3
SCHEMBL20924388 0.71 HSD17B1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113613652-B Benzimidazole compounds and their use in the treatment of alzheimer's disease or huntington's disease 台湾卫生研究院 2022-08-23 CN disclosed
CN-113613652-A Benzimidazole compounds and their use for treating alzheimer's disease or huntington's disease 台湾卫生研究院 2021-11-05 CN disclosed
EP-3843724-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE National Health Research Institutes (TW) 2021-07-07 EP disclosed
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-10 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 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 (2 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-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS QPCT 9/4885BACE1 66/4885SLC6A2 1465/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS QPCT 9/4885BACE1 66/4885SLC6A2 1465/4885

“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.