SCHEMBL21774253

SCHEMBL21774253

O=Cc1ccc(-c2cnc(C(F)(F)F)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
QPCT Q16769 4/20 0.39
DRD1 P21728 5/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CSNK2A1 P68400 1/20 0.33
HDAC4 P56524 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A3 P47895 1/20 0.33
HDAC1 Q13547 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
SCHEMBL28730717 0.81 QPCT (0.38) QPCTGRIN1GRIN2BHDAC6CSNK2A1
SCHEMBL21774198 0.79 CSNK2A1 (0.42) QPCTALDH1A1GRIN1GRIN2BHDAC6
SCHEMBL21774270 0.75 HDAC6 (0.51) KIF11QPCTPTGS1GRIN1GRIN2B
SCHEMBL21774264 0.75 AOC3 (0.45) DRD1ALDH1A1CSNK2A1ALDH1A3
SCHEMBL21774171 0.74 KIF11 (0.47) KIF11QPCTPTGS1HDAC6HDAC1
SCHEMBL4848171 0.71 KIF11 (0.44) KIF11QPCTDRD1ALDH1A1PTGS1
SCHEMBL15193627 0.71 HSD17B1 (0.49) ALDH1A1HDAC6HDAC4HDAC1
SCHEMBL21774325 0.71 FLT3 (0.41) QPCTGRIN1GRIN2B
SCHEMBL31560023 0.70 HDAC1 (0.39) KIF11ALDH1A1POLBL3MBTL1HDAC6
SCHEMBL21774181 0.70 QPCT (0.40) QPCTDRD1CSNK2A1

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
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

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 KIF11 3851/4885QPCT 9/4885DRD1 3713/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS KIF11 3851/4885QPCT 9/4885DRD1 3713/4885

“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.