SCHEMBL21774264

SCHEMBL21774264

Cc1ncc(-c2ccc(C=O)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
CYP2A6 P11509 3/20 0.42
BRD4 O60885 1/20 0.40
ALDH1A3 P47895 1/20 0.39
TYR P14679 1/20 0.38
ALDH1A1 P00352 3/20 0.37
DRD1 P21728 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ADORA2A P29274 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP2A13 Q16696 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL14435919 0.79 AOC3 (0.47) AOC3ALDH1A1LRRK2CSNK2A1ADORA2A
SCHEMBL5521864 0.76 KDR (0.49) AOC3
SCHEMBL21914541 0.76 HSD17B1 (0.53) AOC3CSNK2A1
SCHEMBL2405326 0.76 AOC3 (0.44) AOC3ALDH1A1LRRK2ADORA2AKDM4E
SCHEMBL2406713 0.76 AOC3 (0.48) AOC3ALDH1A1LRRK2ADORA2AKDM4E
SCHEMBL10200927 0.76 CYP2A6 (0.46) CYP2A6BRD4ALDH1A3TYRALDH1A1
SCHEMBL19730877 0.76 APP (0.50) AOC3ALDH1A1LRRK2CSNK2A1ADORA2A
SCHEMBL2405535 0.76 AOC3 (0.48) AOC3ALDH1A1LRRK2ADORA2AKDM4E
SCHEMBL146522 0.75 KDR (0.52) AOC3
SCHEMBL15193627 0.75 HSD17B1 (0.49) ALDH1A1KDM4E

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
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

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 AOC3 2043/4885CYP2A6 2164/4885BRD4 705/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS AOC3 2043/4885CYP2A6 2164/4885BRD4 705/4885

“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.