SCHEMBL21774277

SCHEMBL21774277

CC(=O)NCC(=O)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ SOST Q9BQB4 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ SETDB1 Q15047 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10804003 0.83 GSK3B (0.53) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL1303599 0.82 GSK3B (0.59) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL3362638 0.80 GSK3B (0.61) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL11983785 0.79 GSK3B (0.70) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL21774348 0.79 GSK3B (0.51) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL27580894 0.79 GSK3B (0.59) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL12321479 0.79 GSK3B (0.47) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL7436867 0.78 HSD17B3 (0.52) ALDH1A1MAPTMEN1KMT2ACA1
SCHEMBL7444387 0.78 RAB9A (0.55) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL10077315 0.78 MEN1 (0.57) MAPTMEN1KMT2ARAB9AEPHX2

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
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
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 GSK3B 1632/4885ALDH1A1 925/4885MAPT 108/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS GSK3B 1632/4885ALDH1A1 925/4885MAPT 108/4885

“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.

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