SCHEMBL21774237

SCHEMBL21774237

O=Cc1c(F)cc(-c2ccc(I)s2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.40
HSD17B1 P14061 8/20 0.35
HSD17B2 P37059 8/20 0.35
SNCA P37840 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PRF1 P14222 1/20 0.30

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
SCHEMBL21774261 0.80 ERN1 (0.42) ERN1HSD17B1HSD17B2SNCACYP3A4
SCHEMBL21774309 0.79 ERN1 (0.40) ERN1HSD17B1HSD17B2
SCHEMBL21793384 0.79 ERN1 (0.48) ERN1HSD17B1HSD17B2
SCHEMBL21774189 0.77 HSD17B1 (0.40) ERN1HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL4841994 0.71 CYP2A6 (0.37) CYP3A4CYP2C19
SCHEMBL21774187 0.70 ERN1 (0.65) ERN1CYP3A4
SCHEMBL29786931 0.70 ALDH1A1 (0.41) HSD17B1HSD17B2
SCHEMBL21774281 0.70 ALDH1A1 (0.41) HSD17B1HSD17B2
SCHEMBL14302789 0.68 ERN1 (0.37) ERN1
SCHEMBL8995518 0.67 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C19PRF1

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 ERN1 4218/4885HSD17B1 1377/4885HSD17B2 1621/4885
US-10584120-B1 Benzimidazole compounds and use thereof for treating Alzheimer's Disease or Huntington's Disease GLUL, GLS2, GLS ERN1 4218/4885HSD17B1 1377/4885HSD17B2 1621/4885

“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.